N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide

C17H21N3O — CID 115769042

IUPACN-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)C2CCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-11(12-6-5-7-12)19-17(21)14-10-16(18-2)20-15-9-4-3-8-13(14)15/h3-4,8-12H,5-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKKVIZIXSDJTASV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.19
Rot. Bonds4

About N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide

N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide (PubChem CID 115769042) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
PubChem CID115769042
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)C2CCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-11(12-6-5-7-12)19-17(21)14-10-16(18-2)20-15-9-4-3-8-13(14)15/h3-4,8-12H,5-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKKVIZIXSDJTASV-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62169240
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
N-(1-cyclobutylethyl)-3-hydroxynaphthalene-2-carboxamide
CID 115769307
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
CID 133388065
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide (CID 115769042) is N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)NC(C)C2CCC2)c2ccccc2n1.
What is the InChIKey of N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is KKVIZIXSDJTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(12-6-5-7-12)19-17(21)14-10-16(18-2)20-15-9-4-3-8-13(14)15/h3-4,8-12H,5-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide?
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 115769042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).