N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide

C12H12N2O2 — CID 47120487

IUPACN,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCN(C)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-8-5-3-4-6-9(8)11(15)13-10/h3-7H,1-2H3,(H,13,15)
InChIKeyOZRPBJURZTVLKX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.23
Rot. Bonds1

About N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide

N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 47120487) 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-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID47120487
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCN(C)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-8-5-3-4-6-9(8)11(15)13-10/h3-7H,1-2H3,(H,13,15)
InChIKeyOZRPBJURZTVLKX-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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Related Compounds

N-(4-fluorophenyl)-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 71938315
methyl 2-[methyl-(1-oxo-2H-isoquinoline-3-carbonyl)amino]acetate
CID 43409762
N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide
CID 60743064
hydroxymethyl 1-oxo-2H-isoquinoline-3-carboxylate
CID 140510528
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 37494055
N-cyclopropyl-N-(3-methylbutan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 47796162
N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
N-[2-(N-methylanilino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24675648
N-tert-butyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47111155
N-ethyl-1-oxo-N-(thiophen-2-ylmethyl)-2H-isoquinoline-3-carboxamide
CID 33032493
methyl 2-hydroxy-3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoate
CID 103879566
N-(2-ethylbutyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 115612850

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide (CID 47120487) is N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide is CN(C)C(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is OZRPBJURZTVLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-8-5-3-4-6-9(8)11(15)13-10/h3-7H,1-2H3,(H,13,15).
What are the key properties of N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide?
N,N-dimethyl-1-oxo-2H-isoquinoline-3-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-3-carboxamide is sourced from PubChem (CID 47120487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).