(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C23H19ClN2O3 — CID 93069126

IUPAC(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C23H19ClN2O3/c24-17-8-6-14(7-9-17)13-25-22(28)19-12-18-20(26-23(19)29)10-16(11-21(18)27)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2,(H,25,28)(H,26,29)/t16-/m0/s1
InChIKeyHDWANJNUMCMERL-INIZCTEOSA-N
MW406.87 g/mol
LogP3.87
Rot. Bonds4

About (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 93069126) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID93069126
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc21
InChIInChI=1S/C23H19ClN2O3/c24-17-8-6-14(7-9-17)13-25-22(28)19-12-18-20(26-23(19)29)10-16(11-21(18)27)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2,(H,25,28)(H,26,29)/t16-/m0/s1
InChIKeyHDWANJNUMCMERL-INIZCTEOSA-N
XLogP3.87
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495462
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 17036315
(7R)-3-(morpholine-4-carbonyl)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 95196562
(7R)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397523
(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397522
(7R)-N-butyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397039

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 93069126) is (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc21.
What is the InChIKey of (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is HDWANJNUMCMERL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-17-8-6-14(7-9-17)13-25-22(28)19-12-18-20(26-23(19)29)10-16(11-21(18)27)15-4-2-1-3-5-15/h1-9,12,16H,10-11,13H2,(H,25,28)(H,26,29)/t16-/m0/s1.
What are the key properties of (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 93069126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).