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,N-dimethylacetamide

C26H25FN6O2 — CID 163290728

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,N-dimethylacetamide
SMILESCc1c(-c2cc3nc(Nc4ccc(CC(=O)N(C)C)cc4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C26H25FN6O2/c1-15-20(14-29-25-24(15)28-8-9-35-25)19-12-22-17(11-21(19)27)13-30-26(32-22)31-18-6-4-16(5-7-18)10-23(34)33(2)3/h4-7,11-14,28H,8-10H2,1-3H3,(H,30,31,32)
InChIKeyRTZWZVULSMUVGF-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.32
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,N-dimethylacetamide

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,N-dimethylacetamide (PubChem CID 163290728) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 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,N-dimethylacetamide.

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,N-dimethylacetamide
PubChem CID163290728
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
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,N-dimethylacetamide
SMILESCc1c(-c2cc3nc(Nc4ccc(CC(=O)N(C)C)cc4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C26H25FN6O2/c1-15-20(14-29-25-24(15)28-8-9-35-25)19-12-22-17(11-21(19)27)13-30-26(32-22)31-18-6-4-16(5-7-18)10-23(34)33(2)3/h4-7,11-14,28H,8-10H2,1-3H3,(H,30,31,32)
InChIKeyRTZWZVULSMUVGF-UHFFFAOYSA-N
XLogP4.32
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
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,N-dimethylacetamide 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,N-dimethylacetamide?
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,N-dimethylacetamide (CID 163290728) 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,N-dimethylacetamide.
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,N-dimethylacetamide?
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,N-dimethylacetamide is Cc1c(-c2cc3nc(Nc4ccc(CC(=O)N(C)C)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]-N,N-dimethylacetamide?
The InChIKey is RTZWZVULSMUVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-15-20(14-29-25-24(15)28-8-9-35-25)19-12-22-17(11-21(19)27)13-30-26(32-22)31-18-6-4-16(5-7-18)10-23(34)33(2)3/h4-7,11-14,28H,8-10H2,1-3H3,(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,N-dimethylacetamide?
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,N-dimethylacetamide has a molecular weight of 472.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 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,N-dimethylacetamide is sourced from PubChem (CID 163290728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).