1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one

C21H29N5O2 — CID 126895198

IUPAC1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(CC4CCC(=O)N4C)CC3)cc12
InChIInChI=1S/C21H29N5O2/c1-15(2)28-21-18-12-16(4-6-19(18)22-14-23-21)26-10-8-25(9-11-26)13-17-5-7-20(27)24(17)3/h4,6,12,14-15,17H,5,7-11,13H2,1-3H3
InChIKeyXRUABGAHGBDANZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.16
Rot. Bonds5

About 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one

1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 126895198) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID126895198
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(CC4CCC(=O)N4C)CC3)cc12
InChIInChI=1S/C21H29N5O2/c1-15(2)28-21-18-12-16(4-6-19(18)22-14-23-21)26-10-8-25(9-11-26)13-17-5-7-20(27)24(17)3/h4,6,12,14-15,17H,5,7-11,13H2,1-3H3
InChIKeyXRUABGAHGBDANZ-UHFFFAOYSA-N
XLogP2.16
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126895258
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
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-propan-2-yloxyquinazoline
CID 126895043
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one (CID 126895198) is 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one is CC(C)Oc1ncnc2ccc(N3CCN(CC4CCC(=O)N4C)CC3)cc12.
What is the InChIKey of 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is XRUABGAHGBDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)28-21-18-12-16(4-6-19(18)22-14-23-21)26-10-8-25(9-11-26)13-17-5-7-20(27)24(17)3/h4,6,12,14-15,17H,5,7-11,13H2,1-3H3.
What are the key properties of 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one?
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 383.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 126895198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).