4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide

C16H21N3O — CID 63375215

IUPAC4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-10(2)8-11(3)18-16(20)15-9-13(17)12-6-4-5-7-14(12)19-15/h4-7,9-11H,8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyXRHNEUDWWLXHCF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide

4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide (PubChem CID 63375215) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
PubChem CID63375215
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-10(2)8-11(3)18-16(20)15-9-13(17)12-6-4-5-7-14(12)19-15/h4-7,9-11H,8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyXRHNEUDWWLXHCF-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
CID 115751987
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
1-chloro-N-(4-methylpentan-2-yl)isoquinoline-3-carboxamide
CID 43372252
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
CID 154750746
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
4-methylpentyl 4-aminoquinoline-2-carboxylate
CID 115485965
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide (CID 63375215) is 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide is CC(C)CC(C)NC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide?
The InChIKey is XRHNEUDWWLXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)8-11(3)18-16(20)15-9-13(17)12-6-4-5-7-14(12)19-15/h4-7,9-11H,8H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide?
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 63375215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).