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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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).