quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone

C17H15NO2 — CID 115790977

IUPACquinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc3cccnc3c2)c1C
InChIInChI=1S/C17H15NO2/c1-10-11(2)20-12(3)16(10)17(19)14-7-6-13-5-4-8-18-15(13)9-14/h4-9H,1-3H3
InChIKeyYTYNORYILROGPP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.98
Rot. Bonds2

About quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone

quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 115790977) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Namequinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID115790977
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namequinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc3cccnc3c2)c1C
InChIInChI=1S/C17H15NO2/c1-10-11(2)20-12(3)16(10)17(19)14-7-6-13-5-4-8-18-15(13)9-14/h4-9H,1-3H3
InChIKeyYTYNORYILROGPP-UHFFFAOYSA-N
XLogP3.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
CID 115790968
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
quinolin-7-yl(1,3-thiazol-4-yl)methanone
CID 81220206
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone (CID 115790977) is quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2ccc3cccnc3c2)c1C.
What is the InChIKey of quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is YTYNORYILROGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-11(2)20-12(3)16(10)17(19)14-7-6-13-5-4-8-18-15(13)9-14/h4-9H,1-3H3.
What are the key properties of quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone?
quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 115790977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).