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

C23H21FN6O2 — CID 164514659

IUPAC6-fluoro-2-N-(2-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1ccccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C23H21FN6O2/c1-12-14(10-27-22-21(12)26-7-8-32-22)13-9-17-15(20(25)19(13)24)11-28-23(30-17)29-16-5-3-4-6-18(16)31-2/h3-6,9-11,26H,7-8,25H2,1-2H3,(H,28,29,30)
InChIKeyGQZNRCMFCNLVMP-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.28
Rot. Bonds4

About 6-fluoro-2-N-(2-methoxyphenyl)-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-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 164514659) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 6-fluoro-2-N-(2-methoxyphenyl)-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-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID164514659
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name6-fluoro-2-N-(2-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCOc1ccccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1
InChIInChI=1S/C23H21FN6O2/c1-12-14(10-27-22-21(12)26-7-8-32-22)13-9-17-15(20(25)19(13)24)11-28-23(30-17)29-16-5-3-4-6-18(16)31-2/h3-6,9-11,26H,7-8,25H2,1-2H3,(H,28,29,30)
InChIKeyGQZNRCMFCNLVMP-UHFFFAOYSA-N
XLogP4.28
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-N-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 164514659) is 6-fluoro-2-N-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is COc1ccccc1Nc1ncc2c(N)c(F)c(-c3cnc4c(c3C)NCCO4)cc2n1.
What is the InChIKey of 6-fluoro-2-N-(2-methoxyphenyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is GQZNRCMFCNLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-12-14(10-27-22-21(12)26-7-8-32-22)13-9-17-15(20(25)19(13)24)11-28-23(30-17)29-16-5-3-4-6-18(16)31-2/h3-6,9-11,26H,7-8,25H2,1-2H3,(H,28,29,30).
What are the key properties of 6-fluoro-2-N-(2-methoxyphenyl)-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-methoxyphenyl)-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 432.46 g/mol, XLogP of 4.28, 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-methoxyphenyl)-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 164514659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).