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

C15H20N2O — CID 662793

IUPAC3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one
SMILESCC1=CC2=C(C=C1)C=C(C(=O)N2)CNC(C)(C)C
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
MW244.33 g/mol
LogP2.60
Rot. Bonds3

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

3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one (PubChem CID 662793) has the molecular formula C15H20N2O and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one
PubChem CID662793
Molecular FormulaC15H20N2O
Molecular Weight244.33 g/mol
Exact Mass244.16
IUPAC Name3-[(tert-butylamino)methyl]-7-methyl-1H-quinolin-2-one
SMILESCC1=CC2=C(C=C1)C=C(C(=O)N2)CNC(C)(C)C
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
XLogP2.60
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-methylquinolin-2(1H)-one?
The IUPAC name of 3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-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-methylquinolin-2(1H)-one?
The canonical SMILES for 3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one is CC1=CC2=C(C=C1)C=C(C(=O)N2)CNC(C)(C)C.
What is the InChIKey of 3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-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-methylquinolin-2(1H)-one?
3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one has a molecular weight of 244.33 g/mol, XLogP of 2.60, 3 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-methylquinolin-2(1H)-one is sourced from PubChem (CID 662793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).