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

C19H18ClN3O2 — CID 24758992

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
InChIInChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
InChIKeySWUSXUHTTZKEQG-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.42
Rot. Bonds4

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

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide (PubChem CID 24758992) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide
PubChem CID24758992
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
InChIInChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
InChIKeySWUSXUHTTZKEQG-UHFFFAOYSA-N
XLogP3.42
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide (CID 24758992) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide is CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is SWUSXUHTTZKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 355.83 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 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-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 24758992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).