2-[(3-methylquinolin-2-yl)amino]propanamide

C13H15N3O — CID 63229343

IUPAC2-[(3-methylquinolin-2-yl)amino]propanamide
SMILESCc1cc2ccccc2nc1NC(C)C(N)=O
InChIInChI=1S/C13H15N3O/c1-8-7-10-5-3-4-6-11(10)16-13(8)15-9(2)12(14)17/h3-7,9H,1-2H3,(H2,14,17)(H,15,16)
InChIKeyCQXBKXOUMZUFCA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3-methylquinolin-2-yl)amino]propanamide

2-[(3-methylquinolin-2-yl)amino]propanamide (PubChem CID 63229343) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(3-methylquinolin-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(3-methylquinolin-2-yl)amino]propanamide
PubChem CID63229343
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[(3-methylquinolin-2-yl)amino]propanamide
SMILESCc1cc2ccccc2nc1NC(C)C(N)=O
InChIInChI=1S/C13H15N3O/c1-8-7-10-5-3-4-6-11(10)16-13(8)15-9(2)12(14)17/h3-7,9H,1-2H3,(H2,14,17)(H,15,16)
InChIKeyCQXBKXOUMZUFCA-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
(3-methylquinolin-2-yl)urea
CID 141055729
N-(1-methoxypropan-2-yl)-3-methylquinolin-2-amine
CID 63229340
2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
CID 63228896
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
CID 55173421
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
CID 63229227
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
4-[1-[(3-methylquinolin-2-yl)amino]butyl]benzoic acid
CID 71239463
3-methyl-N-octan-4-ylquinolin-2-amine
CID 106026571
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylquinolin-2-yl)amino]propanamide?
The IUPAC name of 2-[(3-methylquinolin-2-yl)amino]propanamide (CID 63229343) is 2-[(3-methylquinolin-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(3-methylquinolin-2-yl)amino]propanamide?
The canonical SMILES for 2-[(3-methylquinolin-2-yl)amino]propanamide is Cc1cc2ccccc2nc1NC(C)C(N)=O.
What is the InChIKey of 2-[(3-methylquinolin-2-yl)amino]propanamide?
The InChIKey is CQXBKXOUMZUFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-7-10-5-3-4-6-11(10)16-13(8)15-9(2)12(14)17/h3-7,9H,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[(3-methylquinolin-2-yl)amino]propanamide?
2-[(3-methylquinolin-2-yl)amino]propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylquinolin-2-yl)amino]propanamide is sourced from PubChem (CID 63229343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).