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]acetamide

C24H21FN6O2 — CID 163290881

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]acetamide
SMILESCc1c(-c2cc3nc(Nc4ccc(CC(N)=O)cc4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C24H21FN6O2/c1-13-18(12-28-23-22(13)27-6-7-33-23)17-10-20-15(9-19(17)25)11-29-24(31-20)30-16-4-2-14(3-5-16)8-21(26)32/h2-5,9-12,27H,6-8H2,1H3,(H2,26,32)(H,29,30,31)
InChIKeyIXONZSDPWQUTAI-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.72
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]acetamide

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]acetamide (PubChem CID 163290881) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 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]acetamide.

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]acetamide
PubChem CID163290881
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
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]acetamide
SMILESCc1c(-c2cc3nc(Nc4ccc(CC(N)=O)cc4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C24H21FN6O2/c1-13-18(12-28-23-22(13)27-6-7-33-23)17-10-20-15(9-19(17)25)11-29-24(31-20)30-16-4-2-14(3-5-16)8-21(26)32/h2-5,9-12,27H,6-8H2,1H3,(H2,26,32)(H,29,30,31)
InChIKeyIXONZSDPWQUTAI-UHFFFAOYSA-N
XLogP3.72
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]acetamide?
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]acetamide (CID 163290881) 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]acetamide.
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]acetamide?
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]acetamide is Cc1c(-c2cc3nc(Nc4ccc(CC(N)=O)cc4)ncc3cc2F)cnc2c1NCCO2.
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]acetamide?
The InChIKey is IXONZSDPWQUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-13-18(12-28-23-22(13)27-6-7-33-23)17-10-20-15(9-19(17)25)11-29-24(31-20)30-16-4-2-14(3-5-16)8-21(26)32/h2-5,9-12,27H,6-8H2,1H3,(H2,26,32)(H,29,30,31).
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]acetamide?
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]acetamide has a molecular weight of 444.47 g/mol, XLogP of 3.72, 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]acetamide is sourced from PubChem (CID 163290881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).