(3,5-dimethylphenyl)-quinolin-2-ylmethanone

C18H15NO — CID 63222794

IUPAC(3,5-dimethylphenyl)-quinolin-2-ylmethanone
SMILESCc1cc(C)cc(C(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H15NO/c1-12-9-13(2)11-15(10-12)18(20)17-8-7-14-5-3-4-6-16(14)19-17/h3-11H,1-2H3
InChIKeyALFZBCDVYQKBFQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.08
Rot. Bonds2

About (3,5-dimethylphenyl)-quinolin-2-ylmethanone

(3,5-dimethylphenyl)-quinolin-2-ylmethanone (PubChem CID 63222794) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-quinolin-2-ylmethanone
PubChem CID63222794
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(3,5-dimethylphenyl)-quinolin-2-ylmethanone
SMILESCc1cc(C)cc(C(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H15NO/c1-12-9-13(2)11-15(10-12)18(20)17-8-7-14-5-3-4-6-16(14)19-17/h3-11H,1-2H3
InChIKeyALFZBCDVYQKBFQ-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

(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
CID 122393251
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754669
(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
CID 107128303
(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222880
(2,4,6-trimethylbenzoyl) quinoline-2-carboxylate
CID 18335638
(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222879
europium;quinoline-2-carboxylic acid
CID 87730482
copper;quinoline-2-carboxylic acid
CID 68537473
(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone
CID 44606028
2-methylquinoline;quinoline-2-carboxamide
CID 174829911
pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
CID 160839075

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-quinolin-2-ylmethanone?
The IUPAC name of (3,5-dimethylphenyl)-quinolin-2-ylmethanone (CID 63222794) is (3,5-dimethylphenyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylphenyl)-quinolin-2-ylmethanone?
The canonical SMILES for (3,5-dimethylphenyl)-quinolin-2-ylmethanone is Cc1cc(C)cc(C(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-quinolin-2-ylmethanone?
The InChIKey is ALFZBCDVYQKBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-9-13(2)11-15(10-12)18(20)17-8-7-14-5-3-4-6-16(14)19-17/h3-11H,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-quinolin-2-ylmethanone?
(3,5-dimethylphenyl)-quinolin-2-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 (3,5-dimethylphenyl)-quinolin-2-ylmethanone is sourced from PubChem (CID 63222794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).