1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone

C22H31N5O3 — CID 126895187

IUPAC1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CN2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)C1
InChIInChI=1S/C22H31N5O3/c1-16(2)30-22-20-12-18(4-5-21(20)23-15-24-22)26-8-6-25(7-9-26)13-19-14-27(17(3)28)10-11-29-19/h4-5,12,15-16,19H,6-11,13-14H2,1-3H3
InChIKeyIRFOXMZUGMRPOC-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.79
Rot. Bonds5

About 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone

1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 126895187) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
PubChem CID126895187
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CN2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)C1
InChIInChI=1S/C22H31N5O3/c1-16(2)30-22-20-12-18(4-5-21(20)23-15-24-22)26-8-6-25(7-9-26)13-19-14-27(17(3)28)10-11-29-19/h4-5,12,15-16,19H,6-11,13-14H2,1-3H3
InChIKeyIRFOXMZUGMRPOC-UHFFFAOYSA-N
XLogP1.79
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
CID 126895013
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone (CID 126895187) is 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(CN2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)C1.
What is the InChIKey of 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is IRFOXMZUGMRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-16(2)30-22-20-12-18(4-5-21(20)23-15-24-22)26-8-6-25(7-9-26)13-19-14-27(17(3)28)10-11-29-19/h4-5,12,15-16,19H,6-11,13-14H2,1-3H3.
What are the key properties of 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 413.52 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 126895187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).