2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide

C18H15ClN2O2 — CID 1487879

IUPAC2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c1-20(2)17(22)16-11-21(13-9-7-12(19)8-10-13)18(23)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyHUSGONWAXDXNQV-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.35
Rot. Bonds2

About 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide

2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 1487879) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
PubChem CID1487879
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c1-20(2)17(22)16-11-21(13-9-7-12(19)8-10-13)18(23)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyHUSGONWAXDXNQV-UHFFFAOYSA-N
XLogP3.35
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide (CID 1487879) is 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide is CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is HUSGONWAXDXNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-20(2)17(22)16-11-21(13-9-7-12(19)8-10-13)18(23)15-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide?
2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 1487879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).