N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide

C12H12N2O2 — CID 119085988

IUPACN,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCN(C)C(=O)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-13-11(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,15)
InChIKeyOYRZTRJAYYQJFB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.23
Rot. Bonds1

About N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide

N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide (PubChem CID 119085988) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide
PubChem CID119085988
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCN(C)C(=O)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-13-11(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,15)
InChIKeyOYRZTRJAYYQJFB-UHFFFAOYSA-N
XLogP1.23
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide (CID 119085988) is N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide is CN(C)C(=O)c1c[nH]c(=O)c2ccccc12.
What is the InChIKey of N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide?
The InChIKey is OYRZTRJAYYQJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-13-11(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,15).
What are the key properties of N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide?
N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 119085988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).