6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline

C24H21NO — CID 56958029

IUPAC6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
SMILESCOc1ccc2nc(-c3ccc(C)cc3)c(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H21NO/c1-16-9-11-19(12-10-16)24-17(2)23(18-7-5-4-6-8-18)21-15-20(26-3)13-14-22(21)25-24/h4-15H,1-3H3
InChIKeyDSFMGPUBVQJPNI-UHFFFAOYSA-N
MW339.44 g/mol
LogP6.19
Rot. Bonds3

About 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline

6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline (PubChem CID 56958029) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
PubChem CID56958029
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
SMILESCOc1ccc2nc(-c3ccc(C)cc3)c(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H21NO/c1-16-9-11-19(12-10-16)24-17(2)23(18-7-5-4-6-8-18)21-15-20(26-3)13-14-22(21)25-24/h4-15H,1-3H3
InChIKeyDSFMGPUBVQJPNI-UHFFFAOYSA-N
XLogP6.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline?
The IUPAC name of 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline (CID 56958029) is 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline.
What is the SMILES notation for 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline?
The canonical SMILES for 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline is COc1ccc2nc(-c3ccc(C)cc3)c(C)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline?
The InChIKey is DSFMGPUBVQJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-16-9-11-19(12-10-16)24-17(2)23(18-7-5-4-6-8-18)21-15-20(26-3)13-14-22(21)25-24/h4-15H,1-3H3.
What are the key properties of 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline?
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline has a molecular weight of 339.44 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline is sourced from PubChem (CID 56958029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).