2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide

C14H16N2O2 — CID 171701439

IUPAC2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccccc2c(=O)n1C
InChIInChI=1S/C14H16N2O2/c1-3-8-15-13(17)12-9-10-6-4-5-7-11(10)14(18)16(12)2/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyIAWUJARVYHORQK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide

2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide (PubChem CID 171701439) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
PubChem CID171701439
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccccc2c(=O)n1C
InChIInChI=1S/C14H16N2O2/c1-3-8-15-13(17)12-9-10-6-4-5-7-11(10)14(18)16(12)2/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyIAWUJARVYHORQK-UHFFFAOYSA-N
XLogP1.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 172892790
N-[(3,4-difluorophenyl)methyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 136541810
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 4975348
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
CID 171704849
N-ethyl-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxamide
CID 171997172
7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
CID 172904548
7-ethenyl-1-methyl-N-propylindole-2-carboxamide
CID 171663054
2-methyl-1-oxo-N-(5-phenyl-1,2-oxazol-3-yl)isoquinoline-3-carboxamide
CID 167763607
3-hydroxy-N-propylnaphthalene-1-carboxamide
CID 139771851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide?
The IUPAC name of 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide (CID 171701439) is 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide is CCCNC(=O)c1cc2ccccc2c(=O)n1C.
What is the InChIKey of 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide?
The InChIKey is IAWUJARVYHORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-15-13(17)12-9-10-6-4-5-7-11(10)14(18)16(12)2/h4-7,9H,3,8H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide?
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 171701439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).