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

C22H18F2N6O — CID 164514628

IUPAC6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCc1c(-c2cc3nc(Nc4ccccc4F)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C22H18F2N6O/c1-11-13(9-27-21-20(11)26-6-7-31-21)12-8-17-14(19(25)18(12)24)10-28-22(30-17)29-16-5-3-2-4-15(16)23/h2-5,8-10,26H,6-7,25H2,1H3,(H,28,29,30)
InChIKeyYTIZMMGXFRAJPG-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.41
Rot. Bonds3

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

6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 164514628) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.

Molecular Properties

Compound Name6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID164514628
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCc1c(-c2cc3nc(Nc4ccccc4F)ncc3c(N)c2F)cnc2c1NCCO2
InChIInChI=1S/C22H18F2N6O/c1-11-13(9-27-21-20(11)26-6-7-31-21)12-8-17-14(19(25)18(12)24)10-28-22(30-17)29-16-5-3-2-4-15(16)23/h2-5,8-10,26H,6-7,25H2,1H3,(H,28,29,30)
InChIKeyYTIZMMGXFRAJPG-UHFFFAOYSA-N
XLogP4.41
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The IUPAC name of 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 164514628) is 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.
What is the SMILES notation for 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The canonical SMILES for 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is Cc1c(-c2cc3nc(Nc4ccccc4F)ncc3c(N)c2F)cnc2c1NCCO2.
What is the InChIKey of 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is YTIZMMGXFRAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c1-11-13(9-27-21-20(11)26-6-7-31-21)12-8-17-14(19(25)18(12)24)10-28-22(30-17)29-16-5-3-2-4-15(16)23/h2-5,8-10,26H,6-7,25H2,1H3,(H,28,29,30).
What are the key properties of 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine has a molecular weight of 420.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N-(2-fluorophenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is sourced from PubChem (CID 164514628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).