N-(2-amino-4-methylpentyl)quinoline-4-carboxamide

C16H21N3O — CID 107158826

IUPACN-(2-amino-4-methylpentyl)quinoline-4-carboxamide
SMILESCC(C)CC(N)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)9-12(17)10-19-16(20)14-7-8-18-15-6-4-3-5-13(14)15/h3-8,11-12H,9-10,17H2,1-2H3,(H,19,20)
InChIKeyKPELFTVGXGWGRU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds5

About N-(2-amino-4-methylpentyl)quinoline-4-carboxamide

N-(2-amino-4-methylpentyl)quinoline-4-carboxamide (PubChem CID 107158826) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)quinoline-4-carboxamide
PubChem CID107158826
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-amino-4-methylpentyl)quinoline-4-carboxamide
SMILESCC(C)CC(N)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)9-12(17)10-19-16(20)14-7-8-18-15-6-4-3-5-13(14)15/h3-8,11-12H,9-10,17H2,1-2H3,(H,19,20)
InChIKeyKPELFTVGXGWGRU-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-amino-4-methylpentyl)quinoline-4-carboxamide (CID 107158826) is N-(2-amino-4-methylpentyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)quinoline-4-carboxamide is CC(C)CC(N)CNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(2-amino-4-methylpentyl)quinoline-4-carboxamide?
The InChIKey is KPELFTVGXGWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)9-12(17)10-19-16(20)14-7-8-18-15-6-4-3-5-13(14)15/h3-8,11-12H,9-10,17H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4-methylpentyl)quinoline-4-carboxamide?
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)quinoline-4-carboxamide is sourced from PubChem (CID 107158826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).