(2-methyl-2H-quinolin-1-yl)-phenylmethanone

C17H15NO — CID 2998966

IUPAC(2-methyl-2H-quinolin-1-yl)-phenylmethanone
SMILESCC1C=Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO/c1-13-11-12-14-7-5-6-10-16(14)18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyMAKBLQVIBFPTMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.75
Rot. Bonds1

About (2-methyl-2H-quinolin-1-yl)-phenylmethanone

(2-methyl-2H-quinolin-1-yl)-phenylmethanone (PubChem CID 2998966) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-methyl-2H-quinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-2H-quinolin-1-yl)-phenylmethanone
PubChem CID2998966
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(2-methyl-2H-quinolin-1-yl)-phenylmethanone
SMILESCC1C=Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO/c1-13-11-12-14-7-5-6-10-16(14)18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3
InChIKeyMAKBLQVIBFPTMW-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2H-quinolin-1-yl)-phenylmethanone?
The IUPAC name of (2-methyl-2H-quinolin-1-yl)-phenylmethanone (CID 2998966) is (2-methyl-2H-quinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-2H-quinolin-1-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-2H-quinolin-1-yl)-phenylmethanone is CC1C=Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of (2-methyl-2H-quinolin-1-yl)-phenylmethanone?
The InChIKey is MAKBLQVIBFPTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-11-12-14-7-5-6-10-16(14)18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3.
What are the key properties of (2-methyl-2H-quinolin-1-yl)-phenylmethanone?
(2-methyl-2H-quinolin-1-yl)-phenylmethanone has a molecular weight of 249.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2H-quinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 2998966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).