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

C142H134N38O36 — CID 158201491

IUPACN-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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
SMILESCOc1c(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.COc1c(OC(=O)N[C@H]2CN(OC)C2=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/2C26H26N6O6.2C23H20N6O6.2C22H21N7O6/c2*1-36-22-19(37-11-3-5-20(33)32-14-16-12-18(32)25(35)38-16)7-6-17-21(22)29-26(31-10-9-28-23(17)31)30-24(34)15-4-2-8-27-13-15;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;2*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/h2*2,4,6-8,13,16,18,28H,3,5,9-12,14H2,1H3;2*2-6,10,13,15,25H,7-9,11H2,1H3;2*3-7,10,14,24H,8-9,11H2,1-2H3,(H,25,32)/b2*30-26+;2*27-22+;2*27-21+/t2*16-,18-;2*13-,15-;2*14-/m101010/s1
InChIKeyCCQXHBKWHQABJA-VIYQWUCVSA-N
MW2948.86 g/mol
LogP5.73
Rot. Bonds30

About N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 158201491) has the molecular formula C142H134N38O36 and a molecular weight of 2948.86 g/mol. Its IUPAC name is N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 CID158201491
Molecular FormulaC142H134N38O36
Molecular Weight2948.86 g/mol
Exact Mass2946.98
IUPAC NameN-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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
SMILESCOc1c(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.COc1c(OC(=O)N[C@H]2CN(OC)C2=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/2C26H26N6O6.2C23H20N6O6.2C22H21N7O6/c2*1-36-22-19(37-11-3-5-20(33)32-14-16-12-18(32)25(35)38-16)7-6-17-21(22)29-26(31-10-9-28-23(17)31)30-24(34)15-4-2-8-27-13-15;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;2*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/h2*2,4,6-8,13,16,18,28H,3,5,9-12,14H2,1H3;2*2-6,10,13,15,25H,7-9,11H2,1H3;2*3-7,10,14,24H,8-9,11H2,1-2H3,(H,25,32)/b2*30-26+;2*27-22+;2*27-21+/t2*16-,18-;2*13-,15-;2*14-/m101010/s1
InChIKeyCCQXHBKWHQABJA-VIYQWUCVSA-N
XLogP5.73
TPSA847.50 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds30
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002948.86
LogP ≤ 55.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 158201491) is N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 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.COc1c(OC(=O)N[C@H]2CN(OC)C2=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCCC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.
What is the InChIKey of N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 CCQXHBKWHQABJA-VIYQWUCVSA-N. The full InChI is InChI=1S/2C26H26N6O6.2C23H20N6O6.2C22H21N7O6/c2*1-36-22-19(37-11-3-5-20(33)32-14-16-12-18(32)25(35)38-16)7-6-17-21(22)29-26(31-10-9-28-23(17)31)30-24(34)15-4-2-8-27-13-15;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;2*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/h2*2,4,6-8,13,16,18,28H,3,5,9-12,14H2,1H3;2*2-6,10,13,15,25H,7-9,11H2,1H3;2*3-7,10,14,24H,8-9,11H2,1-2H3,(H,25,32)/b2*30-26+;2*27-22+;2*27-21+/t2*16-,18-;2*13-,15-;2*14-/m101010/s1.
What are the key properties of N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 2948.86 g/mol, XLogP of 5.73, 30 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-8-[4-oxo-4-[(1R,4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;N-[7-methoxy-8-[4-oxo-4-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butoxy]-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-[(3S)-1-methoxy-2-oxoazetidin-3-yl]carbamate;[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 158201491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).