8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide

C17H21N3O2 — CID 53149882

IUPAC8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1cccc2c(C(=O)NCCC(C)C)ccnc12
InChIInChI=1S/C17H21N3O2/c1-11(2)7-9-19-17(22)14-8-10-18-16-13(14)5-4-6-15(16)20-12(3)21/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyBUJDFBHZMWNQJN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds5

About 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide

8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide (PubChem CID 53149882) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide
PubChem CID53149882
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1cccc2c(C(=O)NCCC(C)C)ccnc12
InChIInChI=1S/C17H21N3O2/c1-11(2)7-9-19-17(22)14-8-10-18-16-13(14)5-4-6-15(16)20-12(3)21/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyBUJDFBHZMWNQJN-UHFFFAOYSA-N
XLogP2.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
CID 95097428
8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 95097426
N-[(5S)-5-acetamido-6-amino-6-oxohexyl]-8-[[4-[[(5R)-5-acetamido-6-amino-6-oxohexyl]carbamoyl]quinolin-8-yl]disulfanyl]quinoline-4-carboxamide
CID 90112937
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486
4-methyl-1-(8-sulfanylquinolin-4-yl)pentan-1-one
CID 161265475
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
4-N-butyl-7-N-propyl-1,10-phenanthroline-4,7-dicarboxamide
CID 18719623
8-(methyldisulfanyl)-N-[2-(2-propan-2-ylphenyl)ethyl]quinoline-4-carboxamide
CID 74762751
2-chloro-N-(3-methylbutyl)benzamide
CID 669760

Frequently Asked Questions

What is the IUPAC name of 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide?
The IUPAC name of 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide (CID 53149882) is 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide.
What is the SMILES notation for 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide?
The canonical SMILES for 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide is CC(=O)Nc1cccc2c(C(=O)NCCC(C)C)ccnc12.
What is the InChIKey of 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide?
The InChIKey is BUJDFBHZMWNQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)7-9-19-17(22)14-8-10-18-16-13(14)5-4-6-15(16)20-12(3)21/h4-6,8,10-11H,7,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide?
8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide is sourced from PubChem (CID 53149882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).