1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one

C23H26N2O2 — CID 139602478

IUPAC1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
SMILESCCCOc1ccc(-c2cc3cccnc3n(C3CCCCC3)c2=O)cc1
InChIInChI=1S/C23H26N2O2/c1-2-15-27-20-12-10-17(11-13-20)21-16-18-7-6-14-24-22(18)25(23(21)26)19-8-4-3-5-9-19/h6-7,10-14,16,19H,2-5,8-9,15H2,1H3
InChIKeyIEYXNAMCGFIYDG-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.36
Rot. Bonds5

About 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one

1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 139602478) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
PubChem CID139602478
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
SMILESCCCOc1ccc(-c2cc3cccnc3n(C3CCCCC3)c2=O)cc1
InChIInChI=1S/C23H26N2O2/c1-2-15-27-20-12-10-17(11-13-20)21-16-18-7-6-14-24-22(18)25(23(21)26)19-8-4-3-5-9-19/h6-7,10-14,16,19H,2-5,8-9,15H2,1H3
InChIKeyIEYXNAMCGFIYDG-UHFFFAOYSA-N
XLogP5.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one (CID 139602478) is 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one is CCCOc1ccc(-c2cc3cccnc3n(C3CCCCC3)c2=O)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is IEYXNAMCGFIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-15-27-20-12-10-17(11-13-20)21-16-18-7-6-14-24-22(18)25(23(21)26)19-8-4-3-5-9-19/h6-7,10-14,16,19H,2-5,8-9,15H2,1H3.
What are the key properties of 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 362.47 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).