N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C21H22N2O3 — CID 66495462

IUPACN-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2ccccc2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21
InChIInChI=1S/C21H22N2O3/c24-19-11-14(13-6-2-1-3-7-13)10-18-16(19)12-17(21(26)23-18)20(25)22-15-8-4-5-9-15/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,22,25)(H,23,26)
InChIKeyYFBMOKJIUQUZGN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.96
Rot. Bonds3

About N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495462) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495462
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CC(c2ccccc2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21
InChIInChI=1S/C21H22N2O3/c24-19-11-14(13-6-2-1-3-7-13)10-18-16(19)12-17(21(26)23-18)20(25)22-15-8-4-5-9-15/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,22,25)(H,23,26)
InChIKeyYFBMOKJIUQUZGN-UHFFFAOYSA-N
XLogP2.96
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
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
(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
N,N-diethyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495470
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
(7R)-3-(morpholine-4-carbonyl)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 95196562
2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 17036315
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495462) is N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CC(c2ccccc2)Cc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21.
What is the InChIKey of N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is YFBMOKJIUQUZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-19-11-14(13-6-2-1-3-7-13)10-18-16(19)12-17(21(26)23-18)20(25)22-15-8-4-5-9-15/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).