2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide

C19H23N3O2 — CID 30482177

IUPAC2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCCCN3CCCC3=O)c2c1
InChIInChI=1S/C19H23N3O2/c1-13-6-7-17-15(11-13)16(12-14(2)21-17)19(24)20-8-4-10-22-9-3-5-18(22)23/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,24)
InChIKeyNMPHKZAFTXSRRC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.59
Rot. Bonds5

About 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide

2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 30482177) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID30482177
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCCCN3CCCC3=O)c2c1
InChIInChI=1S/C19H23N3O2/c1-13-6-7-17-15(11-13)16(12-14(2)21-17)19(24)20-8-4-10-22-9-3-5-18(22)23/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,24)
InChIKeyNMPHKZAFTXSRRC-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674
8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 46334671
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
CID 31838218
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2510036
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate
CID 60521634
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide (CID 30482177) is 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCCCN3CCCC3=O)c2c1.
What is the InChIKey of 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is NMPHKZAFTXSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-6-7-17-15(11-13)16(12-14(2)21-17)19(24)20-8-4-10-22-9-3-5-18(22)23/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,24).
What are the key properties of 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 30482177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).