7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one

C21H17NO3 — CID 23854701

IUPAC7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(C)oc2c1
InChIInChI=1S/C21H17NO3/c1-3-24-15-9-10-16-19(12-15)25-13(2)20(21(16)23)18-11-8-14-6-4-5-7-17(14)22-18/h4-12H,3H2,1-2H3
InChIKeyUEDFZEUHYHYMKR-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.72
Rot. Bonds3

About 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one

7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one (PubChem CID 23854701) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one.

Molecular Properties

Compound Name7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
PubChem CID23854701
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(C)oc2c1
InChIInChI=1S/C21H17NO3/c1-3-24-15-9-10-16-19(12-15)25-13(2)20(21(16)23)18-11-8-14-6-4-5-7-17(14)22-18/h4-12H,3H2,1-2H3
InChIKeyUEDFZEUHYHYMKR-UHFFFAOYSA-N
XLogP4.72
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 2327583
7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 4270221
7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one
CID 25329957
2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
CID 2418812
(2-methyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 728465
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2000802
ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
CID 912979
7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one
CID 164519672
2-ethoxynaphthalene
CID 118978197
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one?
The IUPAC name of 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one (CID 23854701) is 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one.
What is the SMILES notation for 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one?
The canonical SMILES for 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one is CCOc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(C)oc2c1.
What is the InChIKey of 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one?
The InChIKey is UEDFZEUHYHYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-3-24-15-9-10-16-19(12-15)25-13(2)20(21(16)23)18-11-8-14-6-4-5-7-17(14)22-18/h4-12H,3H2,1-2H3.
What are the key properties of 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one?
7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one has a molecular weight of 331.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one is sourced from PubChem (CID 23854701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).