3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one

C19H17NO — CID 105081061

IUPAC3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
SMILESCc1cccc(CCC(=O)c2cnc3ccccc3c2)c1
InChIInChI=1S/C19H17NO/c1-14-5-4-6-15(11-14)9-10-19(21)17-12-16-7-2-3-8-18(16)20-13-17/h2-8,11-13H,9-10H2,1H3
InChIKeyVIZBEEUJZWXREV-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.36
Rot. Bonds4

About 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one

3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one (PubChem CID 105081061) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
PubChem CID105081061
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
SMILESCc1cccc(CCC(=O)c2cnc3ccccc3c2)c1
InChIInChI=1S/C19H17NO/c1-14-5-4-6-15(11-14)9-10-19(21)17-12-16-7-2-3-8-18(16)20-13-17/h2-8,11-13H,9-10H2,1H3
InChIKeyVIZBEEUJZWXREV-UHFFFAOYSA-N
XLogP4.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-(3-methylphenyl)-1-pyrimidin-5-ylpropan-1-one
CID 105085449
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-quinolin-3-yloctan-1-one
CID 114963108
2-pyridin-4-yl-1-quinolin-3-ylethanone
CID 62551225
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
quinoline-3-carboxylate
CID 4608508
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one (CID 105081061) is 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one is Cc1cccc(CCC(=O)c2cnc3ccccc3c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one?
The InChIKey is VIZBEEUJZWXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14-5-4-6-15(11-14)9-10-19(21)17-12-16-7-2-3-8-18(16)20-13-17/h2-8,11-13H,9-10H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one?
3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one is sourced from PubChem (CID 105081061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).