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

C20H18ClN3O2 — CID 24863112

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C(NC1CC1)c1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
InChIKeySKYALJGMRAGHEN-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.61
Rot. Bonds5

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

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide (PubChem CID 24863112) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide
PubChem CID24863112
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C(NC1CC1)c1ccccc1
InChIInChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
InChIKeySKYALJGMRAGHEN-UHFFFAOYSA-N
XLogP3.61
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46890097
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Benzazepine derivative, 16
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CID 11352538
N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide
CID 24758992
(R)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4,4-dimethylpentanamide
CID 24862717
(S)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4,4-dimethylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide (CID 24863112) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C(NC1CC1)c1ccccc1.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide?
The InChIKey is SKYALJGMRAGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide has a molecular weight of 367.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide is sourced from PubChem (CID 24863112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).