7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide

C17H22N2O2 — CID 172904548

IUPAC7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccc(C)cc2c(=O)n1CCC
InChIInChI=1S/C17H22N2O2/c1-4-8-18-16(20)15-11-13-7-6-12(3)10-14(13)17(21)19(15)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyUJBJQVHIEFCMLL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.86
Rot. Bonds5

About 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide

7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide (PubChem CID 172904548) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
PubChem CID172904548
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccc(C)cc2c(=O)n1CCC
InChIInChI=1S/C17H22N2O2/c1-4-8-18-16(20)15-11-13-7-6-12(3)10-14(13)17(21)19(15)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyUJBJQVHIEFCMLL-UHFFFAOYSA-N
XLogP2.86
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.86
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-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
N-ethyl-7-fluoro-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172904064
2-butyl-6,7-difluoro-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171999515
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081
6,7-difluoro-1-oxo-2-propyl-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 171998912
7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
6,7-difluoro-N-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 171998675
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide?
The IUPAC name of 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide (CID 172904548) is 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide.
What is the SMILES notation for 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide?
The canonical SMILES for 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide is CCCNC(=O)c1cc2ccc(C)cc2c(=O)n1CCC.
What is the InChIKey of 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide?
The InChIKey is UJBJQVHIEFCMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-18-16(20)15-11-13-7-6-12(3)10-14(13)17(21)19(15)9-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,20).
What are the key properties of 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide?
7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide is sourced from PubChem (CID 172904548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).