7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one

C21H12N2O2 — CID 155525005

IUPAC7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one
SMILESO=c1oc2ccccc2c2nc3cccnc3c(-c3ccccc3)c12
InChIInChI=1S/C21H12N2O2/c24-21-18-17(13-7-2-1-3-8-13)20-15(10-6-12-22-20)23-19(18)14-9-4-5-11-16(14)25-21/h1-12H
InChIKeyBRXGBWJIRFJYLU-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.56
Rot. Bonds1

About 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one

7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one (PubChem CID 155525005) has the molecular formula C21H12N2O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one
PubChem CID155525005
Molecular FormulaC21H12N2O2
Molecular Weight324.34 g/mol
Exact Mass324.09
IUPAC Name7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one
SMILESO=c1oc2ccccc2c2nc3cccnc3c(-c3ccccc3)c12
InChIInChI=1S/C21H12N2O2/c24-21-18-17(13-7-2-1-3-8-13)20-15(10-6-12-22-20)23-19(18)14-9-4-5-11-16(14)25-21/h1-12H
InChIKeyBRXGBWJIRFJYLU-UHFFFAOYSA-N
XLogP4.56
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one?
The IUPAC name of 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one (CID 155525005) is 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one.
What is the SMILES notation for 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one?
The canonical SMILES for 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one is O=c1oc2ccccc2c2nc3cccnc3c(-c3ccccc3)c12.
What is the InChIKey of 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one?
The InChIKey is BRXGBWJIRFJYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O2/c24-21-18-17(13-7-2-1-3-8-13)20-15(10-6-12-22-20)23-19(18)14-9-4-5-11-16(14)25-21/h1-12H.
What are the key properties of 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one?
7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one has a molecular weight of 324.34 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylchromeno[4,3-b][1,5]naphthyridin-6-one is sourced from PubChem (CID 155525005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).