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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Related Compounds

1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54681510
4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684094
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684095
4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54696285
1-Benzyl-4-hydroxy-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 59699565
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-4-pyridinyl-, hydrate (5:3)
CID 54684618
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-3-pyridinyl-
CID 54684694
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-N-(2-(dimethylamino)ethyl)-4-hydroxy-2-oxo-1-phenyl-
CID 54715427
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(3-methylphenyl)-2-oxo-1-phenyl-
CID 54715428
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-2-pyrazinyl-
CID 54715432
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-(4-pyridinylmethyl)-
CID 54715433
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-(3-pyridinylmethyl)-
CID 54715434

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).