6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one

C21H28N6O2 — CID 126896200

IUPAC6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
SMILESO=C1COC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)CN1
InChIInChI=1S/C21H28N6O2/c28-20-14-29-17(12-22-20)13-25-7-9-26(10-8-25)16-3-4-19-18(11-16)21(24-15-23-19)27-5-1-2-6-27/h3-4,11,15,17H,1-2,5-10,12-14H2,(H,22,28)
InChIKeyDBZPIEGSJPNLJN-UHFFFAOYSA-N
MW396.50 g/mol
LogP0.87
Rot. Bonds4

About 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one

6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one (PubChem CID 126896200) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
PubChem CID126896200
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
SMILESO=C1COC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)CN1
InChIInChI=1S/C21H28N6O2/c28-20-14-29-17(12-22-20)13-25-7-9-26(10-8-25)16-3-4-19-18(11-16)21(24-15-23-19)27-5-1-2-6-27/h3-4,11,15,17H,1-2,5-10,12-14H2,(H,22,28)
InChIKeyDBZPIEGSJPNLJN-UHFFFAOYSA-N
XLogP0.87
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-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
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896178
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896066

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
The IUPAC name of 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one (CID 126896200) is 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one.
What is the SMILES notation for 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
The canonical SMILES for 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one is O=C1COC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)CN1.
What is the InChIKey of 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
The InChIKey is DBZPIEGSJPNLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c28-20-14-29-17(12-22-20)13-25-7-9-26(10-8-25)16-3-4-19-18(11-16)21(24-15-23-19)27-5-1-2-6-27/h3-4,11,15,17H,1-2,5-10,12-14H2,(H,22,28).
What are the key properties of 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one has a molecular weight of 396.50 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one is sourced from PubChem (CID 126896200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).