4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine

C26H27N5O2 — CID 91184063

IUPAC4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc6c(c5)N=CCO6)cc4C3)c2C1
InChIInChI=1S/C26H27N5O2/c1-26(2)6-5-21-20(13-26)24(30-16-29-21)31-8-10-32-23-4-3-17(11-19(23)15-31)18-12-22-25(28-14-18)33-9-7-27-22/h3-4,7,11-12,14,16H,5-6,8-10,13,15H2,1-2H3
InChIKeyADFRVDFADRAXIK-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.55
Rot. Bonds2

About 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine

4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 91184063) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID91184063
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc6c(c5)N=CCO6)cc4C3)c2C1
InChIInChI=1S/C26H27N5O2/c1-26(2)6-5-21-20(13-26)24(30-16-29-21)31-8-10-32-23-4-3-17(11-19(23)15-31)18-12-22-25(28-14-18)33-9-7-27-22/h3-4,7,11-12,14,16H,5-6,8-10,13,15H2,1-2H3
InChIKeyADFRVDFADRAXIK-UHFFFAOYSA-N
XLogP4.55
TPSA72.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 91184063) is 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine is CC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc6c(c5)N=CCO6)cc4C3)c2C1.
What is the InChIKey of 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is ADFRVDFADRAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-26(2)6-5-21-20(13-26)24(30-16-29-21)31-8-10-32-23-4-3-17(11-19(23)15-31)18-12-22-25(28-14-18)33-9-7-27-22/h3-4,7,11-12,14,16H,5-6,8-10,13,15H2,1-2H3.
What are the key properties of 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 441.54 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-7-(3H-pyrido[2,3-b][1,4]oxazin-7-yl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 91184063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).