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

C24H23FN6O2 — CID 164514725

IUPAC6-fluoro-2-N-(2-methoxy-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1cc(C)ccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C24H23FN6O2/c1-12-4-5-17(19(8-12)32-3)30-24-29-11-16-18(31-24)9-14(20(25)21(16)26)15-10-28-23-22(13(15)2)27-6-7-33-23/h4-5,8-11,27H,6-7,26H2,1-3H3,(H,29,30,31)
InChIKeyKDUJRPSMEIWJIR-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.59
Rot. Bonds4

About 6-fluoro-2-N-(2-methoxy-4-methylphenyl)-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-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 164514725) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 6-fluoro-2-N-(2-methoxy-4-methylphenyl)-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-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID164514725
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name6-fluoro-2-N-(2-methoxy-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1cc(C)ccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C24H23FN6O2/c1-12-4-5-17(19(8-12)32-3)30-24-29-11-16-18(31-24)9-14(20(25)21(16)26)15-10-28-23-22(13(15)2)27-6-7-33-23/h4-5,8-11,27H,6-7,26H2,1-3H3,(H,29,30,31)
InChIKeyKDUJRPSMEIWJIR-UHFFFAOYSA-N
XLogP4.59
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-methoxy-4-methylphenyl)-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-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 164514725) is 6-fluoro-2-N-(2-methoxy-4-methylphenyl)-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-4-methylphenyl)-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-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is COc1cc(C)ccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1.
What is the InChIKey of 6-fluoro-2-N-(2-methoxy-4-methylphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is KDUJRPSMEIWJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-12-4-5-17(19(8-12)32-3)30-24-29-11-16-18(31-24)9-14(20(25)21(16)26)15-10-28-23-22(13(15)2)27-6-7-33-23/h4-5,8-11,27H,6-7,26H2,1-3H3,(H,29,30,31).
What are the key properties of 6-fluoro-2-N-(2-methoxy-4-methylphenyl)-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-4-methylphenyl)-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 446.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N-(2-methoxy-4-methylphenyl)-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 164514725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).