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

C25H24FN7O — CID 163290983

IUPAC6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCc1c(-c2cc3nc(Nc4cnc5c(c4)CN(C)CC5)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C25H24FN7O/c1-14-19(12-29-24-23(14)27-4-6-34-24)18-9-22-15(8-20(18)26)10-30-25(32-22)31-17-7-16-13-33(2)5-3-21(16)28-11-17/h7-12,27H,3-6,13H2,1-2H3,(H,30,31,32)
InChIKeyXSNMSXJTPWIIQX-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.07
Rot. Bonds3

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

6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine (PubChem CID 163290983) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
PubChem CID163290983
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCc1c(-c2cc3nc(Nc4cnc5c(c4)CN(C)CC5)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C25H24FN7O/c1-14-19(12-29-24-23(14)27-4-6-34-24)18-9-22-15(8-20(18)26)10-30-25(32-22)31-17-7-16-13-33(2)5-3-21(16)28-11-17/h7-12,27H,3-6,13H2,1-2H3,(H,30,31,32)
InChIKeyXSNMSXJTPWIIQX-UHFFFAOYSA-N
XLogP4.07
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The IUPAC name of 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine (CID 163290983) is 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The canonical SMILES for 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine is Cc1c(-c2cc3nc(Nc4cnc5c(c4)CN(C)CC5)ncc3cc2F)cnc2c1NCCO2.
What is the InChIKey of 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The InChIKey is XSNMSXJTPWIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-14-19(12-29-24-23(14)27-4-6-34-24)18-9-22-15(8-20(18)26)10-30-25(32-22)31-17-7-16-13-33(2)5-3-21(16)28-11-17/h7-12,27H,3-6,13H2,1-2H3,(H,30,31,32).
What are the key properties of 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine has a molecular weight of 457.51 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).