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

C16H21N3O — CID 103461470

IUPAC4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-4-16(2,3)10-18-15(20)14-9-12(17)11-7-5-6-8-13(11)19-14/h5-9H,4,10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyIILAGZXIPWQELF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds4

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

4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide (PubChem CID 103461470) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
PubChem CID103461470
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
SMILESCCC(C)(C)CNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-4-16(2,3)10-18-15(20)14-9-12(17)11-7-5-6-8-13(11)19-14/h5-9H,4,10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyIILAGZXIPWQELF-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

Analyze 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide (CID 103461470) is 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide is CCC(C)(C)CNC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide?
The InChIKey is IILAGZXIPWQELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-16(2,3)10-18-15(20)14-9-12(17)11-7-5-6-8-13(11)19-14/h5-9H,4,10H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide?
4-amino-N-(2,2-dimethylbutyl)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-(2,2-dimethylbutyl)quinoline-2-carboxamide is sourced from PubChem (CID 103461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).