2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide

C15H18N2O2 — CID 172892790

IUPAC2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccc(C)cc2c(=O)n1C
InChIInChI=1S/C15H18N2O2/c1-4-7-16-14(18)13-9-11-6-5-10(2)8-12(11)15(19)17(13)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)
InChIKeyRVAOKGINPGDCKK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds3

About 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide

2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide (PubChem CID 172892790) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
PubChem CID172892790
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccc(C)cc2c(=O)n1C
InChIInChI=1S/C15H18N2O2/c1-4-7-16-14(18)13-9-11-6-5-10(2)8-12(11)15(19)17(13)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)
InChIKeyRVAOKGINPGDCKK-UHFFFAOYSA-N
XLogP1.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
CID 172904548
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
2-butyl-6,7-difluoro-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171999515
N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001187
2,6-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 173096612
N,N-diethyl-2-methoxy-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172893314
N,2-dicyclopropyl-7-methyl-1-oxoisoquinoline-3-carboxamide
CID 172891613
N-ethyl-7-fluoro-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172904064

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide?
The IUPAC name of 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide (CID 172892790) is 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide is CCCNC(=O)c1cc2ccc(C)cc2c(=O)n1C.
What is the InChIKey of 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide?
The InChIKey is RVAOKGINPGDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-7-16-14(18)13-9-11-6-5-10(2)8-12(11)15(19)17(13)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide?
2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1-oxo-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 172892790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).