2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide

C17H21N3O — CID 79869850

IUPAC2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-17(2)9-5-8-14(17)20-16(21)12-10-15(18)19-13-7-4-3-6-11(12)13/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyPPHUMFGFWFWXAD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds2

About 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide

2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide (PubChem CID 79869850) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide
PubChem CID79869850
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-17(2)9-5-8-14(17)20-16(21)12-10-15(18)19-13-7-4-3-6-11(12)13/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyPPHUMFGFWFWXAD-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
CID 71849712
2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80743131
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
N-(2,2-dimethylcyclopentyl)-1H-indazole-3-carboxamide
CID 79833072
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395
2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 62155570
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
3-amino-N-(2,2-dimethylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79871174
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide (CID 79869850) is 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide is CC1(C)CCCC1NC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide?
The InChIKey is PPHUMFGFWFWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2)9-5-8-14(17)20-16(21)12-10-15(18)19-13-7-4-3-6-11(12)13/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide?
2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclopentyl)quinoline-4-carboxamide is sourced from PubChem (CID 79869850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).