N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide

C19H17ClN2O4 — CID 54676567

IUPACN-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCOc1cccc2c1c(O)c(C(=O)N(C)c1cccc(Cl)c1)c(=O)n2C
InChIInChI=1S/C19H17ClN2O4/c1-21(12-7-4-6-11(20)10-12)18(24)16-17(23)15-13(22(2)19(16)25)8-5-9-14(15)26-3/h4-10,23H,1-3H3
InChIKeyMGNXGJPTWWWXTK-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.18
Rot. Bonds3

About N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide

N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide (PubChem CID 54676567) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
PubChem CID54676567
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCOc1cccc2c1c(O)c(C(=O)N(C)c1cccc(Cl)c1)c(=O)n2C
InChIInChI=1S/C19H17ClN2O4/c1-21(12-7-4-6-11(20)10-12)18(24)16-17(23)15-13(22(2)19(16)25)8-5-9-14(15)26-3/h4-10,23H,1-3H3
InChIKeyMGNXGJPTWWWXTK-UHFFFAOYSA-N
XLogP3.18
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tasquinimod
CID 54682876
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
2-hydroxy-N-(2-methoxybenzyl)-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54676415
1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-5-methoxy-1H-quinolin-2-one (HCl)
CID 10716593
5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699716
1-butyl-4-hydroxy-N-(2-methoxybenzyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54687870
(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 146312379
(E)-3-(4-chlorophenyl)-N-(3-(111C)methoxyphenyl)-N-methylprop-2-enamide
CID 168297580
N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54679597
N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54682588
N-Ethyl-N-phenyl-1,2-dihydro-4-hydroxy-5-methoxy-1-methyl-2-oxo-quinoline-3-carboxamide
CID 54684693
N-Methyl-N-phenyl-1,2-dihydro-4-hydroxy-5-methoxy-1-methyl-2-oxo-quinoline-3-carboxamide
CID 54691517

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide (CID 54676567) is N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide is COc1cccc2c1c(O)c(C(=O)N(C)c1cccc(Cl)c1)c(=O)n2C.
What is the InChIKey of N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
The InChIKey is MGNXGJPTWWWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-21(12-7-4-6-11(20)10-12)18(24)16-17(23)15-13(22(2)19(16)25)8-5-9-14(15)26-3/h4-10,23H,1-3H3.
What are the key properties of N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide?
N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).