4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C23H18N4O2 — CID 53492820

IUPAC4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(/N=c3\cccc4n(O)cccc3-4)c21
InChIInChI=1S/C23H18N4O2/c28-23-22-18(11-12-24-23)26-19(15-6-2-1-3-7-15)14-20(22)25-17-9-4-10-21-16(17)8-5-13-27(21)29/h1-10,13-14,29H,11-12H2,(H,24,28)/b25-17+
InChIKeyJXBQLCBKXRARRV-KOEQRZSOSA-N
MW382.42 g/mol
LogP3.41
Rot. Bonds2

About 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53492820) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53492820
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(/N=c3\cccc4n(O)cccc3-4)c21
InChIInChI=1S/C23H18N4O2/c28-23-22-18(11-12-24-23)26-19(15-6-2-1-3-7-15)14-20(22)25-17-9-4-10-21-16(17)8-5-13-27(21)29/h1-10,13-14,29H,11-12H2,(H,24,28)/b25-17+
InChIKeyJXBQLCBKXRARRV-KOEQRZSOSA-N
XLogP3.41
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 150238
CID 150238
CID 124660
CID 124660
CID 53492944
CID 53492944
CID 53494400
CID 53494400
CID 53494802
CID 53494802
CID 154731987
CID 154731987
CID 664775
CID 664775
CID 664841
CID 664841
CID 135512348
CID 135512348
CID 10872631
CID 10872631
CID 11088629
CID 11088629
CID 53493859
CID 53493859

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53492820) is 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccccc3)cc(/N=c3\cccc4n(O)cccc3-4)c21.
What is the InChIKey of 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is JXBQLCBKXRARRV-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-23-22-18(11-12-24-23)26-19(15-6-2-1-3-7-15)14-20(22)25-17-9-4-10-21-16(17)8-5-13-27(21)29/h1-10,13-14,29H,11-12H2,(H,24,28)/b25-17+.
What are the key properties of 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 382.42 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxyquinolin-5-ylidene)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).