N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide

C17H13ClN2O2 — CID 24863535

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl
InChIInChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
InChIKeyNUMKSHPDXMTIAA-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.36
Rot. Bonds3

About N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (PubChem CID 24863535) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
PubChem CID24863535
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl
InChIInChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
InChIKeyNUMKSHPDXMTIAA-UHFFFAOYSA-N
XLogP3.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-N-(2-naphthyl)-benzamide
CID 307425
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422
N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide
CID 24863112
(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46871820
rac-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46890097
Cis-4-Amino-N-(7-Chloro-1-Oxo-1,2-Dihydroisoquinolin-6-Yl)cyclohexanecarboxamide
CID 49786965
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
N-(3-Chloro-9,10-dihydro-9,10-dioxo-2-anthracenyl)acetamide
CID 66530
3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
CID 146018272
Benzazepine derivative, 13a
CID 22716047
Benzazepine derivative, 16
CID 44520889
Benzazepine derivative, 18
CID 44520890

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (CID 24863535) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The InChIKey is NUMKSHPDXMTIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 24863535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).