3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide

C15H19N3O — CID 106345922

IUPAC3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
SMILESCc1cc(NC(C(N)=O)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-9(2)14(15(16)19)18-13-8-10(3)17-12-7-5-4-6-11(12)13/h4-9,14H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyLKBGLHBXKRCWSM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.47
Rot. Bonds4

About 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide

3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide (PubChem CID 106345922) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
PubChem CID106345922
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
SMILESCc1cc(NC(C(N)=O)C(C)C)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-9(2)14(15(16)19)18-13-8-10(3)17-12-7-5-4-6-11(12)13/h4-9,14H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyLKBGLHBXKRCWSM-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
CID 55107861
N-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinolin-2-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 58797236
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide
CID 79789951
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide (CID 106345922) is 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide is Cc1cc(NC(C(N)=O)C(C)C)c2ccccc2n1.
What is the InChIKey of 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide?
The InChIKey is LKBGLHBXKRCWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)14(15(16)19)18-13-8-10(3)17-12-7-5-4-6-11(12)13/h4-9,14H,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide?
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide has a molecular weight of 257.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide is sourced from PubChem (CID 106345922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).