9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine

C19H10ClFN4O — CID 11516113

IUPAC9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine
SMILESFc1cccnc1-c1ccc2c3c(cnc2n1)Oc1cc(Cl)ccc1N3
InChIInChI=1S/C19H10ClFN4O/c20-10-3-5-13-15(8-10)26-16-9-23-19-11(17(16)24-13)4-6-14(25-19)18-12(21)2-1-7-22-18/h1-9,24H
InChIKeyZXKTWBRNOCXTPZ-UHFFFAOYSA-N
MW364.77 g/mol
LogP5.33
Rot. Bonds1

About 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine

9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine (PubChem CID 11516113) has the molecular formula C19H10ClFN4O and a molecular weight of 364.77 g/mol. Its IUPAC name is 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine
PubChem CID11516113
Molecular FormulaC19H10ClFN4O
Molecular Weight364.77 g/mol
Exact Mass364.05
IUPAC Name9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine
SMILESFc1cccnc1-c1ccc2c3c(cnc2n1)Oc1cc(Cl)ccc1N3
InChIInChI=1S/C19H10ClFN4O/c20-10-3-5-13-15(8-10)26-16-9-23-19-11(17(16)24-13)4-6-14(25-19)18-12(21)2-1-7-22-18/h1-9,24H
InChIKeyZXKTWBRNOCXTPZ-UHFFFAOYSA-N
XLogP5.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.77
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine?
The IUPAC name of 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine (CID 11516113) is 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine.
What is the SMILES notation for 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine?
The canonical SMILES for 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine is Fc1cccnc1-c1ccc2c3c(cnc2n1)Oc1cc(Cl)ccc1N3.
What is the InChIKey of 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine?
The InChIKey is ZXKTWBRNOCXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4O/c20-10-3-5-13-15(8-10)26-16-9-23-19-11(17(16)24-13)4-6-14(25-19)18-12(21)2-1-7-22-18/h1-9,24H.
What are the key properties of 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine?
9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine has a molecular weight of 364.77 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-(3-fluoro-2-pyridinyl)-12H-1,8-naphthyridino[3,4-b][1,4]benzoxazine is sourced from PubChem (CID 11516113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).