6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane

C77H76Cl3N13O11 — CID 158487526

IUPAC6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane
SMILESC1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1ccnc(Cl)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.Cc1ccnc(Cl)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.Cc1ccnc(Cl)c1C(=O)O.Cc1ccnc(N2CCOCC2)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C21H22N4O3.2C17H14ClN3O2.C10H10N2O.C7H6ClNO2.C5H10O/c1-13-5-6-22-20(25-7-9-28-10-8-25)19(13)21(27)23-15-3-4-17-16(12-15)14(2)11-18(26)24-17;2*1-9-5-6-19-16(18)15(9)17(23)20-11-3-4-13-12(8-11)10(2)7-14(22)21-13;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-4-2-3-9-6(8)5(4)7(10)11;1-2-4-6-5-3-1/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)(H,24,26);2*3-8H,1-2H3,(H,20,23)(H,21,22);2-5H,11H2,1H3,(H,12,13);2-3H,1H3,(H,10,11);1-5H2
InChIKeyHIGYDRHXTHNGML-UHFFFAOYSA-N
MW1465.89 g/mol
LogP13.87
Rot. Bonds8

About 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane

6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane (PubChem CID 158487526) has the molecular formula C77H76Cl3N13O11 and a molecular weight of 1465.89 g/mol. Its IUPAC name is 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane.

Molecular Properties

Compound Name6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane
PubChem CID158487526
Molecular FormulaC77H76Cl3N13O11
Molecular Weight1465.89 g/mol
Exact Mass1463.49
IUPAC Name6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane
SMILESC1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1ccnc(Cl)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.Cc1ccnc(Cl)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.Cc1ccnc(Cl)c1C(=O)O.Cc1ccnc(N2CCOCC2)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C21H22N4O3.2C17H14ClN3O2.C10H10N2O.C7H6ClNO2.C5H10O/c1-13-5-6-22-20(25-7-9-28-10-8-25)19(13)21(27)23-15-3-4-17-16(12-15)14(2)11-18(26)24-17;2*1-9-5-6-19-16(18)15(9)17(23)20-11-3-4-13-12(8-11)10(2)7-14(22)21-13;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-4-2-3-9-6(8)5(4)7(10)11;1-2-4-6-5-3-1/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)(H,24,26);2*3-8H,1-2H3,(H,20,23)(H,21,22);2-5H,11H2,1H3,(H,12,13);2-3H,1H3,(H,10,11);1-5H2
InChIKeyHIGYDRHXTHNGML-UHFFFAOYSA-N
XLogP13.87
TPSA355.32 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.89
LogP ≤ 513.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane with MolForge

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Related Compounds

6-Chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
CID 157183753
5-(4-Carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid;methane;5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid;5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 157202937
6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
CID 157421561
2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide;2-(3-hydroxypyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide;pyrrolidin-3-ol
CID 157578370
6-amino-4-methyl-1H-quinolin-2-one;5-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;bis(5-chloro-2-morpholin-4-ylpyridine-3-carboxylic acid);2,5-dichloropyridine-3-carboxylic acid;oxane
CID 157796366
7-Chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-propan-2-yl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-(2,6-difluorophenyl)acetate;propan-2-amine
CID 158324007
2-Aminobenzoic acid;4-(2-carbamoylanilino)-6-chloropyridine-3-carboxylic acid;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine
CID 158331045
6-amino-4-methoxy-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(4-methoxy-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;bis(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
CID 158397327
N-(3,5-dichloro-4-pyridinyl)-1-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide;ethyl 5-[3-[4-oxo-3-(propan-2-ylcarbamoyl)-1,8-naphthyridin-1-yl]phenyl]pyridine-3-carboxylate;1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 158417437
6-chloro-N-(4-fluorophenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;4-fluoroaniline;N-(4-fluorophenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
CID 158539061
3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;2-bromo-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide;oxane
CID 158944465
6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane
CID 159043076

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane?
The IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane (CID 158487526) is 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane.
What is the SMILES notation for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane?
The canonical SMILES for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane is C1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1ccnc(Cl)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.Cc1ccnc(Cl)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.Cc1ccnc(Cl)c1C(=O)O.Cc1ccnc(N2CCOCC2)c1C(=O)Nc1ccc2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane?
The InChIKey is HIGYDRHXTHNGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3.2C17H14ClN3O2.C10H10N2O.C7H6ClNO2.C5H10O/c1-13-5-6-22-20(25-7-9-28-10-8-25)19(13)21(27)23-15-3-4-17-16(12-15)14(2)11-18(26)24-17;2*1-9-5-6-19-16(18)15(9)17(23)20-11-3-4-13-12(8-11)10(2)7-14(22)21-13;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-4-2-3-9-6(8)5(4)7(10)11;1-2-4-6-5-3-1/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)(H,24,26);2*3-8H,1-2H3,(H,20,23)(H,21,22);2-5H,11H2,1H3,(H,12,13);2-3H,1H3,(H,10,11);1-5H2.
What are the key properties of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane?
6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane has a molecular weight of 1465.89 g/mol, XLogP of 13.87, 8 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane is sourced from PubChem (CID 158487526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).