(4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone

C29H21NO — CID 71605968

IUPAC(4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone
SMILESCc1cc(-c2ccccc2)nc2c(C(=O)c3ccccc3)c(-c3ccccc3)ccc12
InChIInChI=1S/C29H21NO/c1-20-19-26(22-13-7-3-8-14-22)30-28-24(20)17-18-25(21-11-5-2-6-12-21)27(28)29(31)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyUEHUMUGWVVBDTI-UHFFFAOYSA-N
MW399.49 g/mol
LogP7.11
Rot. Bonds4

About (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone

(4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone (PubChem CID 71605968) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone
PubChem CID71605968
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name(4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone
SMILESCc1cc(-c2ccccc2)nc2c(C(=O)c3ccccc3)c(-c3ccccc3)ccc12
InChIInChI=1S/C29H21NO/c1-20-19-26(22-13-7-3-8-14-22)30-28-24(20)17-18-25(21-11-5-2-6-12-21)27(28)29(31)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyUEHUMUGWVVBDTI-UHFFFAOYSA-N
XLogP7.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone?
The IUPAC name of (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone (CID 71605968) is (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone is Cc1cc(-c2ccccc2)nc2c(C(=O)c3ccccc3)c(-c3ccccc3)ccc12.
What is the InChIKey of (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone?
The InChIKey is UEHUMUGWVVBDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-20-19-26(22-13-7-3-8-14-22)30-28-24(20)17-18-25(21-11-5-2-6-12-21)27(28)29(31)23-15-9-4-10-16-23/h2-19H,1H3.
What are the key properties of (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone?
(4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone has a molecular weight of 399.49 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,7-diphenylquinolin-8-yl)-phenylmethanone is sourced from PubChem (CID 71605968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).