6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one

C23H31N5O3 — CID 126895572

IUPAC6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
SMILESCN1CC(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)OCC1=O
InChIInChI=1S/C23H31N5O3/c1-26-13-19(30-15-22(26)29)14-27-8-10-28(11-9-27)17-6-7-21-20(12-17)23(25-16-24-21)31-18-4-2-3-5-18/h6-7,12,16,18-19H,2-5,8-11,13-15H2,1H3
InChIKeyULIYPOVNOVIKFJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.93
Rot. Bonds5

About 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one

6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one (PubChem CID 126895572) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
PubChem CID126895572
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
SMILESCN1CC(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)OCC1=O
InChIInChI=1S/C23H31N5O3/c1-26-13-19(30-15-22(26)29)14-27-8-10-28(11-9-27)17-6-7-21-20(12-17)23(25-16-24-21)31-18-4-2-3-5-18/h6-7,12,16,18-19H,2-5,8-11,13-15H2,1H3
InChIKeyULIYPOVNOVIKFJ-UHFFFAOYSA-N
XLogP1.93
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one with MolForge

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Related Compounds

4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896199
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one?
The IUPAC name of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one (CID 126895572) is 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one?
The canonical SMILES for 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one is CN1CC(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)OCC1=O.
What is the InChIKey of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one?
The InChIKey is ULIYPOVNOVIKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-26-13-19(30-15-22(26)29)14-27-8-10-28(11-9-27)17-6-7-21-20(12-17)23(25-16-24-21)31-18-4-2-3-5-18/h6-7,12,16,18-19H,2-5,8-11,13-15H2,1H3.
What are the key properties of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one?
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one has a molecular weight of 425.53 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 126895572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).