[2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone

C25H21NO — CID 102442752

IUPAC[2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone
SMILESCc1ccc(-c2ccc3c(C)cc(C)nc3c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21NO/c1-16-9-11-19(12-10-16)22-14-13-21-17(2)15-18(3)26-24(21)23(22)25(27)20-7-5-4-6-8-20/h4-15H,1-3H3
InChIKeySRXVFHMPIVVCTC-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.06
Rot. Bonds3

About [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone

[2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone (PubChem CID 102442752) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone.

Molecular Properties

Compound Name[2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone
PubChem CID102442752
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name[2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone
SMILESCc1ccc(-c2ccc3c(C)cc(C)nc3c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21NO/c1-16-9-11-19(12-10-16)22-14-13-21-17(2)15-18(3)26-24(21)23(22)25(27)20-7-5-4-6-8-20/h4-15H,1-3H3
InChIKeySRXVFHMPIVVCTC-UHFFFAOYSA-N
XLogP6.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone?
The IUPAC name of [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone (CID 102442752) is [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone.
What is the SMILES notation for [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone?
The canonical SMILES for [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone is Cc1ccc(-c2ccc3c(C)cc(C)nc3c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone?
The InChIKey is SRXVFHMPIVVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-16-9-11-19(12-10-16)22-14-13-21-17(2)15-18(3)26-24(21)23(22)25(27)20-7-5-4-6-8-20/h4-15H,1-3H3.
What are the key properties of [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone?
[2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone has a molecular weight of 351.45 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-7-(4-methylphenyl)quinolin-8-yl]-phenylmethanone is sourced from PubChem (CID 102442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).