8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one

C22H22N2O3 — CID 69090450

IUPAC8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one
SMILESCCOc1nccc2c1C(c1cccc3c(=O)cc(C)oc13)C(C)=C(C)N2
InChIInChI=1S/C22H22N2O3/c1-5-26-22-20-17(9-10-23-22)24-14(4)13(3)19(20)16-8-6-7-15-18(25)11-12(2)27-21(15)16/h6-11,19,24H,5H2,1-4H3
InChIKeySPFXLPMYJCXEGA-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.75
Rot. Bonds3

About 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one

8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one (PubChem CID 69090450) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one.

Molecular Properties

Compound Name8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one
PubChem CID69090450
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one
SMILESCCOc1nccc2c1C(c1cccc3c(=O)cc(C)oc13)C(C)=C(C)N2
InChIInChI=1S/C22H22N2O3/c1-5-26-22-20-17(9-10-23-22)24-14(4)13(3)19(20)16-8-6-7-15-18(25)11-12(2)27-21(15)16/h6-11,19,24H,5H2,1-4H3
InChIKeySPFXLPMYJCXEGA-UHFFFAOYSA-N
XLogP4.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one?
The IUPAC name of 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one (CID 69090450) is 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one.
What is the SMILES notation for 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one?
The canonical SMILES for 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one is CCOc1nccc2c1C(c1cccc3c(=O)cc(C)oc13)C(C)=C(C)N2.
What is the InChIKey of 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one?
The InChIKey is SPFXLPMYJCXEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-5-26-22-20-17(9-10-23-22)24-14(4)13(3)19(20)16-8-6-7-15-18(25)11-12(2)27-21(15)16/h6-11,19,24H,5H2,1-4H3.
What are the key properties of 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one?
8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one has a molecular weight of 362.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one is sourced from PubChem (CID 69090450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).