6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine

C22H19FN6O — CID 164514630

IUPAC6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine
SMILESCc1c(-c2cc3nc(Nc4ccccc4)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C22H19FN6O/c1-12-15(10-26-21-20(12)25-7-8-30-21)14-9-17-16(19(24)18(14)23)11-27-22(29-17)28-13-5-3-2-4-6-13/h2-6,9-11,25H,7-8,24H2,1H3,(H,27,28,29)
InChIKeyQNYJPLLHYQOYLM-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.27
Rot. Bonds3

About 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine

6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine (PubChem CID 164514630) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine.

Molecular Properties

Compound Name6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine
PubChem CID164514630
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine
SMILESCc1c(-c2cc3nc(Nc4ccccc4)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C22H19FN6O/c1-12-15(10-26-21-20(12)25-7-8-30-21)14-9-17-16(19(24)18(14)23)11-27-22(29-17)28-13-5-3-2-4-6-13/h2-6,9-11,25H,7-8,24H2,1H3,(H,27,28,29)
InChIKeyQNYJPLLHYQOYLM-UHFFFAOYSA-N
XLogP4.27
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine 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 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine?
The IUPAC name of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine (CID 164514630) is 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine.
What is the SMILES notation for 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine?
The canonical SMILES for 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine is Cc1c(-c2cc3nc(Nc4ccccc4)ncc3c(N)c2F)cnc2c1NCCO2.
What is the InChIKey of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine?
The InChIKey is QNYJPLLHYQOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-12-15(10-26-21-20(12)25-7-8-30-21)14-9-17-16(19(24)18(14)23)11-27-22(29-17)28-13-5-3-2-4-6-13/h2-6,9-11,25H,7-8,24H2,1H3,(H,27,28,29).
What are the key properties of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine?
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine has a molecular weight of 402.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-phenylquinazoline-2,5-diamine is sourced from PubChem (CID 164514630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).