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

C17H15ClN2O3 — CID 56737934

IUPACN-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1
InChIInChI=1S/C17H15ClN2O3/c1-9-6-14-10(15(21)7-9)8-11(17(23)20-14)16(22)19-13-5-3-2-4-12(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyZYPKZAUMDOXHOS-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.05
Rot. Bonds2

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

N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 56737934) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID56737934
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1
InChIInChI=1S/C17H15ClN2O3/c1-9-6-14-10(15(21)7-9)8-11(17(23)20-14)16(22)19-13-5-3-2-4-12(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyZYPKZAUMDOXHOS-UHFFFAOYSA-N
XLogP3.05
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495324
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
N-(2,4-dimethylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920687
7-methyl-2,5-dioxo-N-quinolin-5-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054909
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56920276
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
(7S)-N-butyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397499
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 56737934) is N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1.
What is the InChIKey of N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ZYPKZAUMDOXHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-9-6-14-10(15(21)7-9)8-11(17(23)20-14)16(22)19-13-5-3-2-4-12(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 56737934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).