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

C17H14ClN3O2 — CID 46890036

IUPAC2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
InChIInChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
InChIKeyLZKXNZXRQFFQAH-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.82
Rot. Bonds3

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

2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (PubChem CID 46890036) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
PubChem CID46890036
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
InChIInChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
InChIKeyLZKXNZXRQFFQAH-UHFFFAOYSA-N
XLogP2.82
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
Benzazepine derivative, 16
CID 44520889
N-(6-chloro-2-cyclopropyl-1-oxoisoquinolin-5-yl)-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 45270543
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145963786
3-chloro-N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145974504
N-(2-benzoyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-3-chlorobenzamide
CID 145978556
N-[1-[2-[5-(aminomethyl)-2-chloroanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide
CID 9935925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (CID 46890036) is 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1.
What is the InChIKey of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The InChIKey is LZKXNZXRQFFQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23).
What are the key properties of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide has a molecular weight of 327.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 46890036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).