2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide

C15H18ClN3O — CID 60928670

IUPAC2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-3-9(2)13(17)15(20)19-12-7-6-11(16)10-5-4-8-18-14(10)12/h4-9,13H,3,17H2,1-2H3,(H,19,20)
InChIKeyURFDNNUIXFALDW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.20
Rot. Bonds4

About 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide

2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide (PubChem CID 60928670) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
PubChem CID60928670
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c1-3-9(2)13(17)15(20)19-12-7-6-11(16)10-5-4-8-18-14(10)12/h4-9,13H,3,17H2,1-2H3,(H,19,20)
InChIKeyURFDNNUIXFALDW-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide (CID 60928670) is 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide?
The InChIKey is URFDNNUIXFALDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-9(2)13(17)15(20)19-12-7-6-11(16)10-5-4-8-18-14(10)12/h4-9,13H,3,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide?
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide has a molecular weight of 291.78 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide is sourced from PubChem (CID 60928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).