9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one

C20H20N2O2 — CID 167121240

IUPAC9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one
SMILESCCN1CCCc2cc3cc(-c4ccnc(C)c4)c(=O)oc3cc21
InChIInChI=1S/C20H20N2O2/c1-3-22-8-4-5-15-10-16-11-17(14-6-7-21-13(2)9-14)20(23)24-19(16)12-18(15)22/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyMHIZFTMXZIVYKJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.94
Rot. Bonds2

About 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one

9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one (PubChem CID 167121240) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one
PubChem CID167121240
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one
SMILESCCN1CCCc2cc3cc(-c4ccnc(C)c4)c(=O)oc3cc21
InChIInChI=1S/C20H20N2O2/c1-3-22-8-4-5-15-10-16-11-17(14-6-7-21-13(2)9-14)20(23)24-19(16)12-18(15)22/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyMHIZFTMXZIVYKJ-UHFFFAOYSA-N
XLogP3.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
The IUPAC name of 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one (CID 167121240) is 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one.
What is the SMILES notation for 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
The canonical SMILES for 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one is CCN1CCCc2cc3cc(-c4ccnc(C)c4)c(=O)oc3cc21.
What is the InChIKey of 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
The InChIKey is MHIZFTMXZIVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-22-8-4-5-15-10-16-11-17(14-6-7-21-13(2)9-14)20(23)24-19(16)12-18(15)22/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one?
9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(2-methyl-4-pyridinyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one is sourced from PubChem (CID 167121240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).