3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one

C21H22N2O2 — CID 54735431

IUPAC3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c(CC2CCCCC2)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-19-17-12-7-13-22-20(17)23(16-10-5-2-6-11-16)21(25)18(19)14-15-8-3-1-4-9-15/h2,5-7,10-13,15,24H,1,3-4,8-9,14H2
InChIKeyRVHIJDUYBSFVJJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.21
Rot. Bonds3

About 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one

3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54735431) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54735431
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c(CC2CCCCC2)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-19-17-12-7-13-22-20(17)23(16-10-5-2-6-11-16)21(25)18(19)14-15-8-3-1-4-9-15/h2,5-7,10-13,15,24H,1,3-4,8-9,14H2
InChIKeyRVHIJDUYBSFVJJ-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one (CID 54735431) is 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one is O=c1c(CC2CCCCC2)c(O)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is RVHIJDUYBSFVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-17-12-7-13-22-20(17)23(16-10-5-2-6-11-16)21(25)18(19)14-15-8-3-1-4-9-15/h2,5-7,10-13,15,24H,1,3-4,8-9,14H2.
What are the key properties of 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).