(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone

C18H14FNO — CID 106880775

IUPAC(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
SMILESCc1cc(C)c(C(=O)c2ccc3ncccc3c2)c(F)c1
InChIInChI=1S/C18H14FNO/c1-11-8-12(2)17(15(19)9-11)18(21)14-5-6-16-13(10-14)4-3-7-20-16/h3-10H,1-2H3
InChIKeyUKVIVOHWEDFPSC-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.22
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone

(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone (PubChem CID 106880775) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
PubChem CID106880775
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
SMILESCc1cc(C)c(C(=O)c2ccc3ncccc3c2)c(F)c1
InChIInChI=1S/C18H14FNO/c1-11-8-12(2)17(15(19)9-11)18(21)14-5-6-16-13(10-14)4-3-7-20-16/h3-10H,1-2H3
InChIKeyUKVIVOHWEDFPSC-UHFFFAOYSA-N
XLogP4.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
ethane;quinoline-6-carboxylic acid
CID 91364452
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone (CID 106880775) is (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone is Cc1cc(C)c(C(=O)c2ccc3ncccc3c2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone?
The InChIKey is UKVIVOHWEDFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-11-8-12(2)17(15(19)9-11)18(21)14-5-6-16-13(10-14)4-3-7-20-16/h3-10H,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone?
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone has a molecular weight of 279.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 106880775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).