9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine

C19H22FN5O2 — CID 164545667

IUPAC9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine
SMILESCC1Oc2c(F)cc(C3CNC3)cc2Nc2ncnc(N3CCOCC3)c21
InChIInChI=1S/C19H22FN5O2/c1-11-16-18(22-10-23-19(16)25-2-4-26-5-3-25)24-15-7-12(13-8-21-9-13)6-14(20)17(15)27-11/h6-7,10-11,13,21H,2-5,8-9H2,1H3,(H,22,23,24)
InChIKeyCOVROHNAMTWJEO-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.34
Rot. Bonds2

About 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine

9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine (PubChem CID 164545667) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine.

Molecular Properties

Compound Name9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine
PubChem CID164545667
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine
SMILESCC1Oc2c(F)cc(C3CNC3)cc2Nc2ncnc(N3CCOCC3)c21
InChIInChI=1S/C19H22FN5O2/c1-11-16-18(22-10-23-19(16)25-2-4-26-5-3-25)24-15-7-12(13-8-21-9-13)6-14(20)17(15)27-11/h6-7,10-11,13,21H,2-5,8-9H2,1H3,(H,22,23,24)
InChIKeyCOVROHNAMTWJEO-UHFFFAOYSA-N
XLogP2.34
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine?
The IUPAC name of 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine (CID 164545667) is 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine.
What is the SMILES notation for 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine?
The canonical SMILES for 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine is CC1Oc2c(F)cc(C3CNC3)cc2Nc2ncnc(N3CCOCC3)c21.
What is the InChIKey of 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine?
The InChIKey is COVROHNAMTWJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-11-16-18(22-10-23-19(16)25-2-4-26-5-3-25)24-15-7-12(13-8-21-9-13)6-14(20)17(15)27-11/h6-7,10-11,13,21H,2-5,8-9H2,1H3,(H,22,23,24).
What are the key properties of 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine?
9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine has a molecular weight of 371.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azetidin-3-yl)-7-fluoro-5-methyl-4-morpholin-4-yl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepine is sourced from PubChem (CID 164545667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).