N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C18H17ClN2O3 — CID 66495570

IUPACN-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-9-5-15-12(16(22)6-9)8-13(18(24)21-15)17(23)20-11-4-3-10(2)14(19)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPAYMFQYKMVSEOC-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.35
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495570) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495570
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-9-5-15-12(16(22)6-9)8-13(18(24)21-15)17(23)20-11-4-3-10(2)14(19)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPAYMFQYKMVSEOC-UHFFFAOYSA-N
XLogP3.35
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56737934
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920276
N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920687
(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 29159336
7-methyl-2,5-dioxo-N-quinolin-5-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054909
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495488
7-methyl-N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495563
(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95196424
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
N-(3-chloro-4-methylphenyl)-7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498818

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495570) is N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)CC3=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is PAYMFQYKMVSEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-9-5-15-12(16(22)6-9)8-13(18(24)21-15)17(23)20-11-4-3-10(2)14(19)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).