(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C16H14N2O3 — CID 51902313

IUPAC(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C16H14N2O3/c17-15(20)12-8-11-13(18-16(12)21)6-10(7-14(11)19)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,17,20)(H,18,21)/t10-/m1/s1
InChIKeyADRSLTLXKQLNIE-SNVBAGLBSA-N
MW282.30 g/mol
LogP1.39
Rot. Bonds2

About (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 51902313) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID51902313
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C16H14N2O3/c17-15(20)12-8-11-13(18-16(12)21)6-10(7-14(11)19)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,17,20)(H,18,21)/t10-/m1/s1
InChIKeyADRSLTLXKQLNIE-SNVBAGLBSA-N
XLogP1.39
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495730
N,N-diethyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495470
N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495462
(7R)-3-(morpholine-4-carbonyl)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 95196562
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 17036315
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 93069126
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
(7S)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 40900592

Frequently Asked Questions

What is the IUPAC name of (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 51902313) is (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O.
What is the InChIKey of (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is ADRSLTLXKQLNIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-15(20)12-8-11-13(18-16(12)21)6-10(7-14(11)19)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,17,20)(H,18,21)/t10-/m1/s1.
What are the key properties of (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 51902313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).