6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one

C26H25NO — CID 166440021

IUPAC6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C26H25NO/c1-26(2,3)20-15-16-22-21(17-20)25(28)23(18-11-7-5-8-12-18)24(27(22)4)19-13-9-6-10-14-19/h5-17H,1-4H3
InChIKeyMMTRUZPINSFUMO-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.17
Rot. Bonds2

About 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one

6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one (PubChem CID 166440021) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one.

Molecular Properties

Compound Name6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one
PubChem CID166440021
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C26H25NO/c1-26(2,3)20-15-16-22-21(17-20)25(28)23(18-11-7-5-8-12-18)24(27(22)4)19-13-9-6-10-14-19/h5-17H,1-4H3
InChIKeyMMTRUZPINSFUMO-UHFFFAOYSA-N
XLogP6.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-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

2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
1-methyl-2,3-diphenylindole
CID 11426096
1,8-dimethyl-2,3-diphenylquinolin-4-one
CID 166440034
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
11-tert-butyl-5,6,13-triphenylisoquinolino[2,1-b]isoquinolin-8-one
CID 102307137
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
10-methyl-2-phenylacridin-9-one
CID 18533849
1-methyl-3-phenyl-5-(trifluoromethyl)indole-2-carbonyl chloride chloride
CID 157145690
4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
CID 139559752
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole
CID 158234538

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one?
The IUPAC name of 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one (CID 166440021) is 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one.
What is the SMILES notation for 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one?
The canonical SMILES for 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one is Cn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one?
The InChIKey is MMTRUZPINSFUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-26(2,3)20-15-16-22-21(17-20)25(28)23(18-11-7-5-8-12-18)24(27(22)4)19-13-9-6-10-14-19/h5-17H,1-4H3.
What are the key properties of 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one?
6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one has a molecular weight of 367.49 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one is sourced from PubChem (CID 166440021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).