2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide

C25H23FN6O2 — CID 163290951

IUPAC2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C25H23FN6O2/c1-14-19(13-29-24-23(14)28-7-8-34-24)18-11-21-16(10-20(18)26)12-30-25(32-21)31-17-5-3-15(4-6-17)9-22(33)27-2/h3-6,10-13,28H,7-9H2,1-2H3,(H,27,33)(H,30,31,32)
InChIKeyWHOPOVJEEOGECM-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.98
Rot. Bonds5

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

2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide (PubChem CID 163290951) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide
PubChem CID163290951
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C25H23FN6O2/c1-14-19(13-29-24-23(14)28-7-8-34-24)18-11-21-16(10-20(18)26)12-30-25(32-21)31-17-5-3-15(4-6-17)9-22(33)27-2/h3-6,10-13,28H,7-9H2,1-2H3,(H,27,33)(H,30,31,32)
InChIKeyWHOPOVJEEOGECM-UHFFFAOYSA-N
XLogP3.98
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide (CID 163290951) is 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1.
What is the InChIKey of 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide?
The InChIKey is WHOPOVJEEOGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-14-19(13-29-24-23(14)28-7-8-34-24)18-11-21-16(10-20(18)26)12-30-25(32-21)31-17-5-3-15(4-6-17)9-22(33)27-2/h3-6,10-13,28H,7-9H2,1-2H3,(H,27,33)(H,30,31,32).
What are the key properties of 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide?
2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide has a molecular weight of 458.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 163290951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).