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

C22H30N6O2 — CID 126896199

IUPAC4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
SMILESCN1CC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)OCC1=O
InChIInChI=1S/C22H30N6O2/c1-25-13-18(30-15-21(25)29)14-26-8-10-27(11-9-26)17-4-5-20-19(12-17)22(24-16-23-20)28-6-2-3-7-28/h4-5,12,16,18H,2-3,6-11,13-15H2,1H3
InChIKeyANSCBFJVQFPCOG-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.21
Rot. Bonds4

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

4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one (PubChem CID 126896199) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
PubChem CID126896199
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
SMILESCN1CC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)OCC1=O
InChIInChI=1S/C22H30N6O2/c1-25-13-18(30-15-21(25)29)14-26-8-10-27(11-9-26)17-4-5-20-19(12-17)22(24-16-23-20)28-6-2-3-7-28/h4-5,12,16,18H,2-3,6-11,13-15H2,1H3
InChIKeyANSCBFJVQFPCOG-UHFFFAOYSA-N
XLogP1.21
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896200
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
The IUPAC name of 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one (CID 126896199) is 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one is CN1CC(CN2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
The InChIKey is ANSCBFJVQFPCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-25-13-18(30-15-21(25)29)14-26-8-10-27(11-9-26)17-4-5-20-19(12-17)22(24-16-23-20)28-6-2-3-7-28/h4-5,12,16,18H,2-3,6-11,13-15H2,1H3.
What are the key properties of 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one?
4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one has a molecular weight of 410.52 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one is sourced from PubChem (CID 126896199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).