7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one

C20H15NO3 — CID 134693453

IUPAC7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one
SMILESCc1ccc2c(COc3cccc4cccnc34)cc(=O)oc2c1
InChIInChI=1S/C20H15NO3/c1-13-7-8-16-15(11-19(22)24-18(16)10-13)12-23-17-6-2-4-14-5-3-9-21-20(14)17/h2-11H,12H2,1H3
InChIKeyZPMDGTBDSHDQSL-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.23
Rot. Bonds3

About 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one

7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one (PubChem CID 134693453) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one
PubChem CID134693453
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one
SMILESCc1ccc2c(COc3cccc4cccnc34)cc(=O)oc2c1
InChIInChI=1S/C20H15NO3/c1-13-7-8-16-15(11-19(22)24-18(16)10-13)12-23-17-6-2-4-14-5-3-9-21-20(14)17/h2-11H,12H2,1H3
InChIKeyZPMDGTBDSHDQSL-UHFFFAOYSA-N
XLogP4.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one 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

4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
CID 7859252
4-[(4-bromo-2-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3390826
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
(7-bromo-2-oxochromen-4-yl)methyl 2-quinolin-8-ylacetate
CID 55503167
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617786
4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3491002
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045422
4-[(4-methoxy-2-nitrophenoxy)methyl]-7-methylchromen-2-one
CID 7473378
8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
CID 3611795

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one?
The IUPAC name of 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one (CID 134693453) is 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one.
What is the SMILES notation for 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one?
The canonical SMILES for 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one is Cc1ccc2c(COc3cccc4cccnc34)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one?
The InChIKey is ZPMDGTBDSHDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-13-7-8-16-15(11-19(22)24-18(16)10-13)12-23-17-6-2-4-14-5-3-9-21-20(14)17/h2-11H,12H2,1H3.
What are the key properties of 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one?
7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one has a molecular weight of 317.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one is sourced from PubChem (CID 134693453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).