(2,4-dimethylphenyl)-quinolin-8-ylmethanone

C18H15NO — CID 115604843

IUPAC(2,4-dimethylphenyl)-quinolin-8-ylmethanone
SMILESCc1ccc(C(=O)c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H15NO/c1-12-8-9-15(13(2)11-12)18(20)16-7-3-5-14-6-4-10-19-17(14)16/h3-11H,1-2H3
InChIKeyZLLOMNKZWKAVRO-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.08
Rot. Bonds2

About (2,4-dimethylphenyl)-quinolin-8-ylmethanone

(2,4-dimethylphenyl)-quinolin-8-ylmethanone (PubChem CID 115604843) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-quinolin-8-ylmethanone
PubChem CID115604843
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(2,4-dimethylphenyl)-quinolin-8-ylmethanone
SMILESCc1ccc(C(=O)c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H15NO/c1-12-8-9-15(13(2)11-12)18(20)16-7-3-5-14-6-4-10-19-17(14)16/h3-11H,1-2H3
InChIKeyZLLOMNKZWKAVRO-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone
CID 103407845
palladium;quinoline-8-carboxylic acid
CID 174945118
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-quinolin-8-ylmethanone?
The IUPAC name of (2,4-dimethylphenyl)-quinolin-8-ylmethanone (CID 115604843) is (2,4-dimethylphenyl)-quinolin-8-ylmethanone.
What is the SMILES notation for (2,4-dimethylphenyl)-quinolin-8-ylmethanone?
The canonical SMILES for (2,4-dimethylphenyl)-quinolin-8-ylmethanone is Cc1ccc(C(=O)c2cccc3cccnc23)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-quinolin-8-ylmethanone?
The InChIKey is ZLLOMNKZWKAVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-8-9-15(13(2)11-12)18(20)16-7-3-5-14-6-4-10-19-17(14)16/h3-11H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-quinolin-8-ylmethanone?
(2,4-dimethylphenyl)-quinolin-8-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-quinolin-8-ylmethanone is sourced from PubChem (CID 115604843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).