N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide

C17H14N2O2 — CID 23156859

IUPACN-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-11(20)18-14-8-7-13-9-16(12-5-3-2-4-6-12)19-17(21)15(13)10-14/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyIUXHDETXNUHRKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.15
Rot. Bonds2

About N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide

N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide (PubChem CID 23156859) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
PubChem CID23156859
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-11(20)18-14-8-7-13-9-16(12-5-3-2-4-6-12)19-17(21)15(13)10-14/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyIUXHDETXNUHRKF-UHFFFAOYSA-N
XLogP3.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156742
N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
CID 67768528
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide
CID 23156815
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
7-[methyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]-3-phenyl-2H-isoquinolin-1-one
CID 58941649
7-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-phenyl-2H-isoquinolin-1-one
CID 141281104
N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636
N-(4-phenylphenyl)acetamide
CID 19998
tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
CID 86048174
3-[4-(1-methoxyethenyl)phenyl]-2H-isoquinolin-1-one
CID 123349936
N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
CID 159322428

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The IUPAC name of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide (CID 23156859) is N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The canonical SMILES for N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide is CC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The InChIKey is IUXHDETXNUHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11(20)18-14-8-7-13-9-16(12-5-3-2-4-6-12)19-17(21)15(13)10-14/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 23156859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).