2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide

C15H19N3O — CID 79234871

IUPAC2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
SMILESCc1cc(CNC(C)(C)C(N)=O)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10-8-11(9-17-15(2,3)14(16)19)12-6-4-5-7-13(12)18-10/h4-8,17H,9H2,1-3H3,(H2,16,19)
InChIKeyROUAZZABJLBMOC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide

2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide (PubChem CID 79234871) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
PubChem CID79234871
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
SMILESCc1cc(CNC(C)(C)C(N)=O)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10-8-11(9-17-15(2,3)14(16)19)12-6-4-5-7-13(12)18-10/h4-8,17H,9H2,1-3H3,(H2,16,19)
InChIKeyROUAZZABJLBMOC-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
(2-methylquinolin-4-yl)methanethiol
CID 79885955
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
CID 106187151
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide (CID 79234871) is 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide is Cc1cc(CNC(C)(C)C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide?
The InChIKey is ROUAZZABJLBMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-11(9-17-15(2,3)14(16)19)12-6-4-5-7-13(12)18-10/h4-8,17H,9H2,1-3H3,(H2,16,19).
What are the key properties of 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide?
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide has a molecular weight of 257.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide is sourced from PubChem (CID 79234871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).