N-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

C138H128N36O33S — CID 158232336

IUPACN-[8-(3-ethenylsulfonylpropoxy)-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
SMILESC=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(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N[C@@H]2CN(OC)C2=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/2C24H22N6O5.2C23H20N6O6.C22H21N7O6.C22H23N5O5S/c2*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;2*1-33-18-16(35-23(32)29-11-13-9-15(29)21(31)34-13)5-4-14-17(18)26-22(28-8-7-25-19(14)28)27-20(30)12-3-2-6-24-10-12;1-33-17-15(35-22(32)25-14-11-29(34-2)20(14)31)6-5-13-16(17)26-21(28-9-8-24-18(13)28)27-19(30)12-4-3-7-23-10-12;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*2-6,11,15,17,26H,7-10,12H2,1H3;2*2-6,10,13,15,25H,7-9,11H2,1H3;3-7,10,14,24H,8-9,11H2,1-2H3,(H,25,32);3-4,6-9,14,24H,1,5,10-13H2,2H3/b2*28-24+;2*27-22+;27-21+;26-22+/t2*15-,17-;2*13-,15-;14-;/m10101./s1
InChIKeyDTQQBRIUVJPTMF-ZFCSZRMLSA-N
MW2850.83 g/mol
LogP5.96
Rot. Bonds27

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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (PubChem CID 158232336) has the molecular formula C138H128N36O33S and a molecular weight of 2850.83 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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
PubChem CID158232336
Molecular FormulaC138H128N36O33S
Molecular Weight2850.83 g/mol
Exact Mass2848.92
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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
SMILESC=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(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N[C@@H]2CN(OC)C2=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/2C24H22N6O5.2C23H20N6O6.C22H21N7O6.C22H23N5O5S/c2*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;2*1-33-18-16(35-23(32)29-11-13-9-15(29)21(31)34-13)5-4-14-17(18)26-22(28-8-7-25-19(14)28)27-20(30)12-3-2-6-24-10-12;1-33-17-15(35-22(32)25-14-11-29(34-2)20(14)31)6-5-13-16(17)26-21(28-9-8-24-18(13)28)27-19(30)12-4-3-7-23-10-12;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*2-6,11,15,17,26H,7-10,12H2,1H3;2*2-6,10,13,15,25H,7-9,11H2,1H3;3-7,10,14,24H,8-9,11H2,1-2H3,(H,25,32);3-4,6-9,14,24H,1,5,10-13H2,2H3/b2*28-24+;2*27-22+;27-21+;26-22+/t2*15-,17-;2*13-,15-;14-;/m10101./s1
InChIKeyDTQQBRIUVJPTMF-ZFCSZRMLSA-N
XLogP5.96
TPSA804.54 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds27
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002850.83
LogP ≤ 55.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (CID 158232336) 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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate is 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(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OC(=O)N[C@@H]2CN(OC)C2=O)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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The InChIKey is DTQQBRIUVJPTMF-ZFCSZRMLSA-N. The full InChI is InChI=1S/2C24H22N6O5.2C23H20N6O6.C22H21N7O6.C22H23N5O5S/c2*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;2*1-33-18-16(35-23(32)29-11-13-9-15(29)21(31)34-13)5-4-14-17(18)26-22(28-8-7-25-19(14)28)27-20(30)12-3-2-6-24-10-12;1-33-17-15(35-22(32)25-14-11-29(34-2)20(14)31)6-5-13-16(17)26-21(28-9-8-24-18(13)28)27-19(30)12-4-3-7-23-10-12;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*2-6,11,15,17,26H,7-10,12H2,1H3;2*2-6,10,13,15,25H,7-9,11H2,1H3;3-7,10,14,24H,8-9,11H2,1-2H3,(H,25,32);3-4,6-9,14,24H,1,5,10-13H2,2H3/b2*28-24+;2*27-22+;27-21+;26-22+/t2*15-,17-;2*13-,15-;14-;/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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate has a molecular weight of 2850.83 g/mol, XLogP of 5.96, 27 rotatable bonds, 7 hydrogen bond donors, and 57 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-[2-oxo-2-[(1S,4S)-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-[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;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] N-[(3R)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl] (1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate is sourced from PubChem (CID 158232336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).