(2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone

C24H19NO — CID 102442751

IUPAC(2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone
SMILESCc1cc(C)c2ccc(-c3ccccc3)c(C(=O)c3ccccc3)c2n1
InChIInChI=1S/C24H19NO/c1-16-15-17(2)25-23-20(16)13-14-21(18-9-5-3-6-10-18)22(23)24(26)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyWLFRBUCMPIFEOV-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.75
Rot. Bonds3

About (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone

(2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone (PubChem CID 102442751) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone
PubChem CID102442751
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name(2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone
SMILESCc1cc(C)c2ccc(-c3ccccc3)c(C(=O)c3ccccc3)c2n1
InChIInChI=1S/C24H19NO/c1-16-15-17(2)25-23-20(16)13-14-21(18-9-5-3-6-10-18)22(23)24(26)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyWLFRBUCMPIFEOV-UHFFFAOYSA-N
XLogP5.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.75
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-phenylquinolin-8-yl)-phenylmethanone?
The IUPAC name of (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone (CID 102442751) is (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone.
What is the SMILES notation for (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone?
The canonical SMILES for (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone is Cc1cc(C)c2ccc(-c3ccccc3)c(C(=O)c3ccccc3)c2n1.
What is the InChIKey of (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone?
The InChIKey is WLFRBUCMPIFEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-16-15-17(2)25-23-20(16)13-14-21(18-9-5-3-6-10-18)22(23)24(26)19-11-7-4-8-12-19/h3-15H,1-2H3.
What are the key properties of (2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone?
(2,4-dimethyl-7-phenylquinolin-8-yl)-phenylmethanone has a molecular weight of 337.42 g/mol, XLogP of 5.75, 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-phenylquinolin-8-yl)-phenylmethanone is sourced from PubChem (CID 102442751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).