1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one

C19H17NO — CID 178184798

IUPAC1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(-c3ccccc3C)ccnc2c1
InChIInChI=1S/C19H17NO/c1-13-5-3-4-6-16(13)17-9-10-20-19-12-15(11-14(2)21)7-8-18(17)19/h3-10,12H,11H2,1-2H3
InChIKeyDIQMYALOJTVMGM-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.34
Rot. Bonds3

About 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one

1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one (PubChem CID 178184798) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one
PubChem CID178184798
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(-c3ccccc3C)ccnc2c1
InChIInChI=1S/C19H17NO/c1-13-5-3-4-6-16(13)17-9-10-20-19-12-15(11-14(2)21)7-8-18(17)19/h3-10,12H,11H2,1-2H3
InChIKeyDIQMYALOJTVMGM-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one?
The IUPAC name of 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one (CID 178184798) is 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one?
The canonical SMILES for 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one is CC(=O)Cc1ccc2c(-c3ccccc3C)ccnc2c1.
What is the InChIKey of 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one?
The InChIKey is DIQMYALOJTVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-5-3-4-6-16(13)17-9-10-20-19-12-15(11-14(2)21)7-8-18(17)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one?
1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one has a molecular weight of 275.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)quinolin-7-yl]propan-2-one is sourced from PubChem (CID 178184798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).