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

C22H20FN7O2 — CID 164514632

IUPAC6-fluoro-2-N-(2-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1ncccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C22H20FN7O2/c1-11-13(9-27-21-19(11)25-6-7-32-21)12-8-16-14(18(24)17(12)23)10-28-22(30-16)29-15-4-3-5-26-20(15)31-2/h3-5,8-10,25H,6-7,24H2,1-2H3,(H,28,29,30)
InChIKeyHYEMPIUTONODEO-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.67
Rot. Bonds4

About 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 164514632) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID164514632
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name6-fluoro-2-N-(2-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1ncccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C22H20FN7O2/c1-11-13(9-27-21-19(11)25-6-7-32-21)12-8-16-14(18(24)17(12)23)10-28-22(30-16)29-15-4-3-5-26-20(15)31-2/h3-5,8-10,25H,6-7,24H2,1-2H3,(H,28,29,30)
InChIKeyHYEMPIUTONODEO-UHFFFAOYSA-N
XLogP3.67
TPSA120.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 164514632) is 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is COc1ncccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1.
What is the InChIKey of 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is HYEMPIUTONODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-11-13(9-27-21-19(11)25-6-7-32-21)12-8-16-14(18(24)17(12)23)10-28-22(30-16)29-15-4-3-5-26-20(15)31-2/h3-5,8-10,25H,6-7,24H2,1-2H3,(H,28,29,30).
What are the key properties of 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-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-methoxy-3-pyridinyl)-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 433.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N-(2-methoxy-3-pyridinyl)-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 164514632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).