2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide

C18H25N3O — CID 75452820

IUPAC2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1nc2ccccc2c(NCC(=O)NC(C)C)c1C(C)C
InChIInChI=1S/C18H25N3O/c1-11(2)17-13(5)21-15-9-7-6-8-14(15)18(17)19-10-16(22)20-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,21)(H,20,22)
InChIKeySDGXSMUAUXWGEI-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide

2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 75452820) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID75452820
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCc1nc2ccccc2c(NCC(=O)NC(C)C)c1C(C)C
InChIInChI=1S/C18H25N3O/c1-11(2)17-13(5)21-15-9-7-6-8-14(15)18(17)19-10-16(22)20-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,21)(H,20,22)
InChIKeySDGXSMUAUXWGEI-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide 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

2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-cyclopentyl-2-[(3-ethyl-2-methylquinolin-4-yl)amino]acetamide
CID 166202902
N-cyclobutyl-2-[(3-ethyl-2-methylquinolin-4-yl)amino]acetamide
CID 166382384
ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
CID 91367914
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide (CID 75452820) is 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide is Cc1nc2ccccc2c(NCC(=O)NC(C)C)c1C(C)C.
What is the InChIKey of 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is SDGXSMUAUXWGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-11(2)17-13(5)21-15-9-7-6-8-14(15)18(17)19-10-16(22)20-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 299.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 75452820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).