N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

C169H166N38O40S — CID 159337317

IUPACN-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
SMILESC=CC(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.C=CS(=O)(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.COc1c(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)[C@@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)[C@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@H]3CC2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/2C25H24N6O7.2C25H25N5O6.C24H22N6O5.C23H23N5O4.C22H23N5O5S/c2*1-35-20-18(36-9-10-37-25(34)31-13-15-11-17(31)23(33)38-15)5-4-16-19(20)28-24(30-8-7-27-21(16)30)29-22(32)14-3-2-6-26-12-14;2*1-34-22-19(35-13-3-5-17(31)18-8-9-20(32)36-18)7-6-16-21(22)28-25(30-12-11-27-23(16)30)29-24(33)15-4-2-10-26-14-15;1-34-20-13(9-18(31)30-12-15-10-17(30)23(33)35-15)4-5-16-19(20)27-24(29-8-7-26-21(16)29)28-22(32)14-3-2-6-25-11-14;1-3-16(29)7-5-13-32-18-9-8-17-19(20(18)31-2)26-23(28-12-11-25-21(17)28)27-22(30)15-6-4-10-24-14-15;1-3-33(29,30)13-5-12-32-17-8-7-16-18(19(17)31-2)25-22(27-11-10-24-20(16)27)26-21(28)15-6-4-9-23-14-15/h2*2-6,12,15,17,27H,7-11,13H2,1H3;2*2,4,6-7,10,14,18,27H,3,5,8-9,11-13H2,1H3;2-6,11,15,17,26H,7-10,12H2,1H3;3-4,6,8-10,14,25H,1,5,7,11-13H2,2H3;3-4,6-9,14,24H,1,5,10-13H2,2H3/b2*29-24+;2*29-25+;28-24+;27-23+;26-22+/t15-,17?;15-,17-;2*18-;15-,17-;;/m10101../s1
InChIKeySEFOHTFRZKRCKG-DXAWPFOTSA-N
MW3401.48 g/mol
LogP11.45
Rot. Bonds48

About N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (PubChem CID 159337317) has the molecular formula C169H166N38O40S and a molecular weight of 3401.48 g/mol. Its IUPAC name is N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate.

Molecular Properties

Compound NameN-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
PubChem CID159337317
Molecular FormulaC169H166N38O40S
Molecular Weight3401.48 g/mol
Exact Mass3399.18
IUPAC NameN-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
SMILESC=CC(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.C=CS(=O)(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.COc1c(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)[C@@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)[C@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@H]3CC2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/2C25H24N6O7.2C25H25N5O6.C24H22N6O5.C23H23N5O4.C22H23N5O5S/c2*1-35-20-18(36-9-10-37-25(34)31-13-15-11-17(31)23(33)38-15)5-4-16-19(20)28-24(30-8-7-27-21(16)30)29-22(32)14-3-2-6-26-12-14;2*1-34-22-19(35-13-3-5-17(31)18-8-9-20(32)36-18)7-6-16-21(22)28-25(30-12-11-27-23(16)30)29-24(33)15-4-2-10-26-14-15;1-34-20-13(9-18(31)30-12-15-10-17(30)23(33)35-15)4-5-16-19(20)27-24(29-8-7-26-21(16)29)28-22(32)14-3-2-6-25-11-14;1-3-16(29)7-5-13-32-18-9-8-17-19(20(18)31-2)26-23(28-12-11-25-21(17)28)27-22(30)15-6-4-10-24-14-15;1-3-33(29,30)13-5-12-32-17-8-7-16-18(19(17)31-2)25-22(27-11-10-24-20(16)27)26-21(28)15-6-4-9-23-14-15/h2*2-6,12,15,17,27H,7-11,13H2,1H3;2*2,4,6-7,10,14,18,27H,3,5,8-9,11-13H2,1H3;2-6,11,15,17,26H,7-10,12H2,1H3;3-4,6,8-10,14,25H,1,5,7,11-13H2,2H3;3-4,6-9,14,24H,1,5,10-13H2,2H3/b2*29-24+;2*29-25+;28-24+;27-23+;26-22+/t15-,17?;15-,17-;2*18-;15-,17-;;/m10101../s1
InChIKeySEFOHTFRZKRCKG-DXAWPFOTSA-N
XLogP11.45
TPSA921.42 Ų
H-Bond Donors7
H-Bond Acceptors68
Rotatable Bonds48
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003401.48
LogP ≤ 511.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The IUPAC name of N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (CID 159337317) is N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate.
What is the SMILES notation for N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The canonical SMILES for N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate is C=CC(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.C=CS(=O)(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.COc1c(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)[C@@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)[C@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@H]3CC2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.
What is the InChIKey of N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The InChIKey is SEFOHTFRZKRCKG-DXAWPFOTSA-N. The full InChI is InChI=1S/2C25H24N6O7.2C25H25N5O6.C24H22N6O5.C23H23N5O4.C22H23N5O5S/c2*1-35-20-18(36-9-10-37-25(34)31-13-15-11-17(31)23(33)38-15)5-4-16-19(20)28-24(30-8-7-27-21(16)30)29-22(32)14-3-2-6-26-12-14;2*1-34-22-19(35-13-3-5-17(31)18-8-9-20(32)36-18)7-6-16-21(22)28-25(30-12-11-27-23(16)30)29-24(33)15-4-2-10-26-14-15;1-34-20-13(9-18(31)30-12-15-10-17(30)23(33)35-15)4-5-16-19(20)27-24(29-8-7-26-21(16)29)28-22(32)14-3-2-6-25-11-14;1-3-16(29)7-5-13-32-18-9-8-17-19(20(18)31-2)26-23(28-12-11-25-21(17)28)27-22(30)15-6-4-10-24-14-15;1-3-33(29,30)13-5-12-32-17-8-7-16-18(19(17)31-2)25-22(27-11-10-24-20(16)27)26-21(28)15-6-4-9-23-14-15/h2*2-6,12,15,17,27H,7-11,13H2,1H3;2*2,4,6-7,10,14,18,27H,3,5,8-9,11-13H2,1H3;2-6,11,15,17,26H,7-10,12H2,1H3;3-4,6,8-10,14,25H,1,5,7,11-13H2,2H3;3-4,6-9,14,24H,1,5,10-13H2,2H3/b2*29-24+;2*29-25+;28-24+;27-23+;26-22+/t15-,17?;15-,17-;2*18-;15-,17-;;/m10101../s1.
What are the key properties of N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate has a molecular weight of 3401.48 g/mol, XLogP of 11.45, 48 rotatable bonds, 7 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2S)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(2R)-5-oxooxolan-2-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate is sourced from PubChem (CID 159337317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).