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

C18H15NO — CID 86811186

IUPAC(2,4-dimethylphenyl)-quinolin-4-ylmethanone
SMILESCc1ccc(C(=O)c2ccnc3ccccc23)c(C)c1
InChIInChI=1S/C18H15NO/c1-12-7-8-14(13(2)11-12)18(20)16-9-10-19-17-6-4-3-5-15(16)17/h3-11H,1-2H3
InChIKeyAGAHWQILYOAAKH-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.08
Rot. Bonds2

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

(2,4-dimethylphenyl)-quinolin-4-ylmethanone (PubChem CID 86811186) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-quinolin-4-ylmethanone
PubChem CID86811186
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(2,4-dimethylphenyl)-quinolin-4-ylmethanone
SMILESCc1ccc(C(=O)c2ccnc3ccccc23)c(C)c1
InChIInChI=1S/C18H15NO/c1-12-7-8-14(13(2)11-12)18(20)16-9-10-19-17-6-4-3-5-15(16)17/h3-11H,1-2H3
InChIKeyAGAHWQILYOAAKH-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-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
CID 142581738
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-quinolin-4-ylmethanone?
The IUPAC name of (2,4-dimethylphenyl)-quinolin-4-ylmethanone (CID 86811186) is (2,4-dimethylphenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (2,4-dimethylphenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (2,4-dimethylphenyl)-quinolin-4-ylmethanone is Cc1ccc(C(=O)c2ccnc3ccccc23)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-quinolin-4-ylmethanone?
The InChIKey is AGAHWQILYOAAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-7-8-14(13(2)11-12)18(20)16-9-10-19-17-6-4-3-5-15(16)17/h3-11H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-quinolin-4-ylmethanone?
(2,4-dimethylphenyl)-quinolin-4-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-4-ylmethanone is sourced from PubChem (CID 86811186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).