4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one

C23H31N5O4 — CID 126896735

IUPAC4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
SMILESO=C1COCCCN1CCN1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
InChIInChI=1S/C23H31N5O4/c29-22-16-30-12-1-5-28(22)11-8-26-6-9-27(10-7-26)18-2-3-21-20(14-18)23(25-17-24-21)32-19-4-13-31-15-19/h2-3,14,17,19H,1,4-13,15-16H2
InChIKeyJOYZRJIZHQQTHQ-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.17
Rot. Bonds6

About 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one

4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one (PubChem CID 126896735) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one.

Molecular Properties

Compound Name4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
PubChem CID126896735
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
SMILESO=C1COCCCN1CCN1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1
InChIInChI=1S/C23H31N5O4/c29-22-16-30-12-1-5-28(22)11-8-26-6-9-27(10-7-26)18-2-3-21-20(14-18)23(25-17-24-21)32-19-4-13-31-15-19/h2-3,14,17,19H,1,4-13,15-16H2
InChIKeyJOYZRJIZHQQTHQ-UHFFFAOYSA-N
XLogP1.17
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one with MolForge

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Related Compounds

4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 126896695
3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702
4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
CID 126896722
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126896615
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one?
The IUPAC name of 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one (CID 126896735) is 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one.
What is the SMILES notation for 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one?
The canonical SMILES for 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one is O=C1COCCCN1CCN1CCN(c2ccc3ncnc(OC4CCOC4)c3c2)CC1.
What is the InChIKey of 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one?
The InChIKey is JOYZRJIZHQQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c29-22-16-30-12-1-5-28(22)11-8-26-6-9-27(10-7-26)18-2-3-21-20(14-18)23(25-17-24-21)32-19-4-13-31-15-19/h2-3,14,17,19H,1,4-13,15-16H2.
What are the key properties of 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one?
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one has a molecular weight of 441.53 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one is sourced from PubChem (CID 126896735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).