(2-methylfuran-3-yl)-quinolin-3-ylmethanone

C15H11NO2 — CID 104789375

IUPAC(2-methylfuran-3-yl)-quinolin-3-ylmethanone
SMILESCc1occc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H11NO2/c1-10-13(6-7-18-10)15(17)12-8-11-4-2-3-5-14(11)16-9-12/h2-9H,1H3
InChIKeyDBGJXOULGITHQM-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.37
Rot. Bonds2

About (2-methylfuran-3-yl)-quinolin-3-ylmethanone

(2-methylfuran-3-yl)-quinolin-3-ylmethanone (PubChem CID 104789375) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-quinolin-3-ylmethanone
PubChem CID104789375
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(2-methylfuran-3-yl)-quinolin-3-ylmethanone
SMILESCc1occc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H11NO2/c1-10-13(6-7-18-10)15(17)12-8-11-4-2-3-5-14(11)16-9-12/h2-9H,1H3
InChIKeyDBGJXOULGITHQM-UHFFFAOYSA-N
XLogP3.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-quinolin-3-ylmethanone
CID 106856565
CID 88968554
CID 88968554
(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 104789232
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
(3-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 114963054
(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
CID 114963114
quinoline-3-carboxylate
CID 4608508
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
CID 114963086
quinoline-3-carboxamide;hydrofluoride
CID 174911514
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-quinolin-3-ylmethanone?
The IUPAC name of (2-methylfuran-3-yl)-quinolin-3-ylmethanone (CID 104789375) is (2-methylfuran-3-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (2-methylfuran-3-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (2-methylfuran-3-yl)-quinolin-3-ylmethanone is Cc1occc1C(=O)c1cnc2ccccc2c1.
What is the InChIKey of (2-methylfuran-3-yl)-quinolin-3-ylmethanone?
The InChIKey is DBGJXOULGITHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-13(6-7-18-10)15(17)12-8-11-4-2-3-5-14(11)16-9-12/h2-9H,1H3.
What are the key properties of (2-methylfuran-3-yl)-quinolin-3-ylmethanone?
(2-methylfuran-3-yl)-quinolin-3-ylmethanone has a molecular weight of 237.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 104789375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).