2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide

C18H23N3O2 — CID 67965449

IUPAC2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
SMILESCc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCCC3)c2c1
InChIInChI=1S/C18H23N3O2/c1-13-5-6-14-15(11-13)16(12-20(2)18(14)23)17(22)19-7-10-21-8-3-4-9-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyQSFKKMAWJDZBOY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.67
Rot. Bonds4

About 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide

2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide (PubChem CID 67965449) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
PubChem CID67965449
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
SMILESCc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCCC3)c2c1
InChIInChI=1S/C18H23N3O2/c1-13-5-6-14-15(11-13)16(12-20(2)18(14)23)17(22)19-7-10-21-8-3-4-9-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyQSFKKMAWJDZBOY-UHFFFAOYSA-N
XLogP1.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
CID 84555556
1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 118788228
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
CID 10828011
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
N-[3-(4-ethylpiperazin-1-yl)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 15996107
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 46291561

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide (CID 67965449) is 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide is Cc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCCC3)c2c1.
What is the InChIKey of 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide?
The InChIKey is QSFKKMAWJDZBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-5-6-14-15(11-13)16(12-20(2)18(14)23)17(22)19-7-10-21-8-3-4-9-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22).
What are the key properties of 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide?
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 67965449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).