2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C18H23N3O — CID 47000437

IUPAC2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)NCCN3CCCC3)cc(C)nc2c1
InChIInChI=1S/C18H23N3O/c1-13-5-6-15-16(12-14(2)20-17(15)11-13)18(22)19-7-10-21-8-3-4-9-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyGBNOTJSRYNILCI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.68
Rot. Bonds4

About 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 47000437) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID47000437
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)NCCN3CCCC3)cc(C)nc2c1
InChIInChI=1S/C18H23N3O/c1-13-5-6-15-16(12-14(2)20-17(15)11-13)18(22)19-7-10-21-8-3-4-9-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyGBNOTJSRYNILCI-UHFFFAOYSA-N
XLogP2.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
CID 118780364
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 46291561
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
CID 67965449
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
CID 119445544

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 47000437) is 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is Cc1ccc2c(C(=O)NCCN3CCCC3)cc(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is GBNOTJSRYNILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-5-6-15-16(12-14(2)20-17(15)11-13)18(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 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 47000437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).