(4-methylquinolin-2-yl)-phenylmethanone

C17H13NO — CID 899772

IUPAC(4-methylquinolin-2-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H13NO/c1-12-11-16(17(19)13-7-3-2-4-8-13)18-15-10-6-5-9-14(12)15/h2-11H,1H3
InChIKeyWPVGAGDXYNALIK-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.77
Rot. Bonds2

About (4-methylquinolin-2-yl)-phenylmethanone

(4-methylquinolin-2-yl)-phenylmethanone (PubChem CID 899772) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (4-methylquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methylquinolin-2-yl)-phenylmethanone
PubChem CID899772
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(4-methylquinolin-2-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H13NO/c1-12-11-16(17(19)13-7-3-2-4-8-13)18-15-10-6-5-9-14(12)15/h2-11H,1H3
InChIKeyWPVGAGDXYNALIK-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylquinolin-2-yl)-phenylmethanone?
The IUPAC name of (4-methylquinolin-2-yl)-phenylmethanone (CID 899772) is (4-methylquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (4-methylquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (4-methylquinolin-2-yl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of (4-methylquinolin-2-yl)-phenylmethanone?
The InChIKey is WPVGAGDXYNALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-12-11-16(17(19)13-7-3-2-4-8-13)18-15-10-6-5-9-14(12)15/h2-11H,1H3.
What are the key properties of (4-methylquinolin-2-yl)-phenylmethanone?
(4-methylquinolin-2-yl)-phenylmethanone has a molecular weight of 247.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).