3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one

C20H17NO2 — CID 102134786

IUPAC3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
SMILESCCc1ccc(C2Cc3nc4ccccc4cc3C(=O)O2)cc1
InChIInChI=1S/C20H17NO2/c1-2-13-7-9-14(10-8-13)19-12-18-16(20(22)23-19)11-15-5-3-4-6-17(15)21-18/h3-11,19H,2,12H2,1H3
InChIKeyCBUZTAYAERCABY-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.25
Rot. Bonds2

About 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one

3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one (PubChem CID 102134786) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
PubChem CID102134786
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
SMILESCCc1ccc(C2Cc3nc4ccccc4cc3C(=O)O2)cc1
InChIInChI=1S/C20H17NO2/c1-2-13-7-9-14(10-8-13)19-12-18-16(20(22)23-19)11-15-5-3-4-6-17(15)21-18/h3-11,19H,2,12H2,1H3
InChIKeyCBUZTAYAERCABY-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
The IUPAC name of 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one (CID 102134786) is 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one is CCc1ccc(C2Cc3nc4ccccc4cc3C(=O)O2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
The InChIKey is CBUZTAYAERCABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-13-7-9-14(10-8-13)19-12-18-16(20(22)23-19)11-15-5-3-4-6-17(15)21-18/h3-11,19H,2,12H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one is sourced from PubChem (CID 102134786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).