N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide

C26H19ClN2O2 — CID 147835638

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2c(c1)CC=C2
InChIInChI=1S/C26H19ClN2O2/c27-21-11-12-23-24(14-21)29(22-7-2-1-3-8-22)16-20(25(23)30)15-28-26(31)19-10-9-17-5-4-6-18(17)13-19/h1-5,7-14,16H,6,15H2,(H,28,31)
InChIKeyHRYHYPRFQSQUQJ-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.14
Rot. Bonds4

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide (PubChem CID 147835638) has the molecular formula C26H19ClN2O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide
PubChem CID147835638
Molecular FormulaC26H19ClN2O2
Molecular Weight426.90 g/mol
Exact Mass426.11
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2c(c1)CC=C2
InChIInChI=1S/C26H19ClN2O2/c27-21-11-12-23-24(14-21)29(22-7-2-1-3-8-22)16-20(25(23)30)15-28-26(31)19-10-9-17-5-4-6-18(17)13-19/h1-5,7-14,16H,6,15H2,(H,28,31)
InChIKeyHRYHYPRFQSQUQJ-UHFFFAOYSA-N
XLogP5.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-4-(4-hydroxy-4-methylpentanoyl)benzamide
CID 152823113
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-methoxypyridine-3-carboxamide
CID 71208877
3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide
CID 141352866
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 71217358
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 71217344
tert-butyl 5-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 71209027
tert-butyl (1S,4S)-5-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 71208393
1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71208229
tert-butyl 8-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-5,8-diazatricyclo[4.2.0.01,3]octane-5-carboxylate
CID 71230433
6-(4-aminopiperidin-1-yl)pyridine-3-carboxylic acid;N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 159189130
1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-(5-hydroxy-5,7-dimethyl-2-tricyclo[5.2.1.03,9]dec-3-enyl)urea
CID 123428318
3-[[[[[1-(benzenesulfonyl)-3,4-dihydro-2H-pyridin-4-yl]amino]-cyclopropylidenemethyl]amino]methyl]-7-chloro-1-phenylquinolin-4-one
CID 163466162

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide (CID 147835638) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2c(c1)CC=C2.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide?
The InChIKey is HRYHYPRFQSQUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O2/c27-21-11-12-23-24(14-21)29(22-7-2-1-3-8-22)16-20(25(23)30)15-28-26(31)19-10-9-17-5-4-6-18(17)13-19/h1-5,7-14,16H,6,15H2,(H,28,31).
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3H-indene-5-carboxamide is sourced from PubChem (CID 147835638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).