4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one

C18H17N3O2 — CID 54680204

IUPAC4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one
SMILESO=c1c(N2CCCC2)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-16-14-9-6-10-19-17(14)21(13-7-2-1-3-8-13)18(23)15(16)20-11-4-5-12-20/h1-3,6-10,22H,4-5,11-12H2
InChIKeyULGABHCZIJXUFO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.69
Rot. Bonds2

About 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one

4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one (PubChem CID 54680204) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one
PubChem CID54680204
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one
SMILESO=c1c(N2CCCC2)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-16-14-9-6-10-19-17(14)21(13-7-2-1-3-8-13)18(23)15(16)20-11-4-5-12-20/h1-3,6-10,22H,4-5,11-12H2
InChIKeyULGABHCZIJXUFO-UHFFFAOYSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one (CID 54680204) is 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one is O=c1c(N2CCCC2)c(O)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one?
The InChIKey is ULGABHCZIJXUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-16-14-9-6-10-19-17(14)21(13-7-2-1-3-8-13)18(23)15(16)20-11-4-5-12-20/h1-3,6-10,22H,4-5,11-12H2.
What are the key properties of 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one?
4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-pyrrolidin-1-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54680204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).