7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine

C21H12F2N2O — CID 155520606

IUPAC7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine
SMILESFc1ccc(-c2c3c(nc4cccnc24)-c2ccccc2OC3)cc1F
InChIInChI=1S/C21H12F2N2O/c22-15-8-7-12(10-16(15)23)19-14-11-26-18-6-2-1-4-13(18)20(14)25-17-5-3-9-24-21(17)19/h1-10H,11H2
InChIKeyFGAFJLXPQJUPII-UHFFFAOYSA-N
MW346.34 g/mol
LogP5.13
Rot. Bonds1

About 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine

7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine (PubChem CID 155520606) has the molecular formula C21H12F2N2O and a molecular weight of 346.34 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine
PubChem CID155520606
Molecular FormulaC21H12F2N2O
Molecular Weight346.34 g/mol
Exact Mass346.09
IUPAC Name7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine
SMILESFc1ccc(-c2c3c(nc4cccnc24)-c2ccccc2OC3)cc1F
InChIInChI=1S/C21H12F2N2O/c22-15-8-7-12(10-16(15)23)19-14-11-26-18-6-2-1-4-13(18)20(14)25-17-5-3-9-24-21(17)19/h1-10H,11H2
InChIKeyFGAFJLXPQJUPII-UHFFFAOYSA-N
XLogP5.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine?
The IUPAC name of 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine (CID 155520606) is 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine.
What is the SMILES notation for 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine?
The canonical SMILES for 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine is Fc1ccc(-c2c3c(nc4cccnc24)-c2ccccc2OC3)cc1F.
What is the InChIKey of 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine?
The InChIKey is FGAFJLXPQJUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N2O/c22-15-8-7-12(10-16(15)23)19-14-11-26-18-6-2-1-4-13(18)20(14)25-17-5-3-9-24-21(17)19/h1-10H,11H2.
What are the key properties of 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine?
7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine has a molecular weight of 346.34 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-6H-chromeno[4,3-b][1,5]naphthyridine is sourced from PubChem (CID 155520606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).