3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one

C15H20N2O — CID 662793

IUPAC3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNC(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-10-5-6-11-8-12(9-16-15(2,3)4)14(18)17-13(11)7-10/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKeyPJDOAEUOIPOPRO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds2

About 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one

3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 662793) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one
PubChem CID662793
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNC(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-10-5-6-11-8-12(9-16-15(2,3)4)14(18)17-13(11)7-10/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKeyPJDOAEUOIPOPRO-UHFFFAOYSA-N
XLogP2.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one 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-Hydroxyquinoline
CID 6038
Prilocaine
CID 4906
4-Methylquinolin-2-ol
CID 69088
N-(2,5-Dimethylphenyl)acetamide
CID 16304
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
4-Amino-1,2-dihydroquinolin-2-one
CID 459666
3-methylquinolin-2(1H)-one
CID 440987
6-[Bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23644730
6-[(2,2,2-Trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9818136

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one (CID 662793) is 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CNC(C)(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is PJDOAEUOIPOPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-5-6-11-8-12(9-16-15(2,3)4)14(18)17-13(11)7-10/h5-8,16H,9H2,1-4H3,(H,17,18).
What are the key properties of 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one?
3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 662793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).