8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one

C21H23N5O2 — CID 51272117

IUPAC8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCN(c4ccccn4)CC3)cnc12
InChIInChI=1S/C21H23N5O2/c1-16-5-4-6-17-20(16)23-15-26(21(17)28)10-8-19(27)25-13-11-24(12-14-25)18-7-2-3-9-22-18/h2-7,9,15H,8,10-14H2,1H3
InChIKeyLKOUAJFXZZCLBU-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.84
Rot. Bonds4

About 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one

8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one (PubChem CID 51272117) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
PubChem CID51272117
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCN(c4ccccn4)CC3)cnc12
InChIInChI=1S/C21H23N5O2/c1-16-5-4-6-17-20(16)23-15-26(21(17)28)10-8-19(27)25-13-11-24(12-14-25)18-7-2-3-9-22-18/h2-7,9,15H,8,10-14H2,1H3
InChIKeyLKOUAJFXZZCLBU-UHFFFAOYSA-N
XLogP1.84
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119416183
8-methyl-3-[3-oxo-3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
CID 86890883
6-chloro-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 134005488
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 51272641
5,6-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 18148182
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
8-methyl-3-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]quinazolin-4-one
CID 30085391
3-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35374273
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119518652
N-(2-chlorophenyl)-2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 34408005
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one?
The IUPAC name of 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one (CID 51272117) is 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one?
The canonical SMILES for 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one is Cc1cccc2c(=O)n(CCC(=O)N3CCN(c4ccccn4)CC3)cnc12.
What is the InChIKey of 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one?
The InChIKey is LKOUAJFXZZCLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16-5-4-6-17-20(16)23-15-26(21(17)28)10-8-19(27)25-13-11-24(12-14-25)18-7-2-3-9-22-18/h2-7,9,15H,8,10-14H2,1H3.
What are the key properties of 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one?
8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one has a molecular weight of 377.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 51272117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).