3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one

C20H23N5O — CID 126897323

IUPAC3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4ccncc4)CC3)ccc2c1=O
InChIInChI=1S/C20H23N5O/c1-15(2)25-14-22-19-13-17(3-4-18(19)20(25)26)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h3-8,13-15H,9-12H2,1-2H3
InChIKeyNVCXUBNSMBNTBI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.70
Rot. Bonds3

About 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one

3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one (PubChem CID 126897323) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
PubChem CID126897323
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(c4ccncc4)CC3)ccc2c1=O
InChIInChI=1S/C20H23N5O/c1-15(2)25-14-22-19-13-17(3-4-18(19)20(25)26)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h3-8,13-15H,9-12H2,1-2H3
InChIKeyNVCXUBNSMBNTBI-UHFFFAOYSA-N
XLogP2.70
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
3-propan-2-yl-7-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazolin-4-one
CID 126897319
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897381
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897369
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897624
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one (CID 126897323) is 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one is CC(C)n1cnc2cc(N3CCN(c4ccncc4)CC3)ccc2c1=O.
What is the InChIKey of 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is NVCXUBNSMBNTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(2)25-14-22-19-13-17(3-4-18(19)20(25)26)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one?
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 349.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 126897323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).