2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide

C16H21N3O — CID 62165979

IUPAC2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-10(2)11(3)18-16(20)13-9-15(17-4)19-14-8-6-5-7-12(13)14/h5-11H,1-4H3,(H,17,19)(H,18,20)
InChIKeyIOCCEDDSBUJZMS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.05
Rot. Bonds4

About 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide

2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 62165979) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
PubChem CID62165979
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NC(C)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-10(2)11(3)18-16(20)13-9-15(17-4)19-14-8-6-5-7-12(13)14/h5-11H,1-4H3,(H,17,19)(H,18,20)
InChIKeyIOCCEDDSBUJZMS-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide (CID 62165979) is 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide is CNc1cc(C(=O)NC(C)C(C)C)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is IOCCEDDSBUJZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)11(3)18-16(20)13-9-15(17-4)19-14-8-6-5-7-12(13)14/h5-11H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 62165979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).