4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide

C18H21N3O2 — CID 138997163

IUPAC4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide
SMILESCNC(=O)C1(NC(=O)c2ccc3nccc(C)c3c2)CCCC1
InChIInChI=1S/C18H21N3O2/c1-12-7-10-20-15-6-5-13(11-14(12)15)16(22)21-18(17(23)19-2)8-3-4-9-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyFQCKIBZQZGWWNA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.33
Rot. Bonds3

About 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide

4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide (PubChem CID 138997163) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide
PubChem CID138997163
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide
SMILESCNC(=O)C1(NC(=O)c2ccc3nccc(C)c3c2)CCCC1
InChIInChI=1S/C18H21N3O2/c1-12-7-10-20-15-6-5-13(11-14(12)15)16(22)21-18(17(23)19-2)8-3-4-9-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyFQCKIBZQZGWWNA-UHFFFAOYSA-N
XLogP2.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide?
The IUPAC name of 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide (CID 138997163) is 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide is CNC(=O)C1(NC(=O)c2ccc3nccc(C)c3c2)CCCC1.
What is the InChIKey of 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide?
The InChIKey is FQCKIBZQZGWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-10-20-15-6-5-13(11-14(12)15)16(22)21-18(17(23)19-2)8-3-4-9-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide?
4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(methylcarbamoyl)cyclopentyl]quinoline-6-carboxamide is sourced from PubChem (CID 138997163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).