7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C19H26N4O2 — CID 126897590

IUPAC7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C4CCC4O)CC3)ccc2c1=O
InChIInChI=1S/C19H26N4O2/c1-13(2)23-12-20-16-11-14(3-4-15(16)19(23)25)21-7-9-22(10-8-21)17-5-6-18(17)24/h3-4,11-13,17-18,24H,5-10H2,1-2H3
InChIKeyDGDUMCOEGROUHR-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.62
Rot. Bonds3

About 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897590) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897590
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C4CCC4O)CC3)ccc2c1=O
InChIInChI=1S/C19H26N4O2/c1-13(2)23-12-20-16-11-14(3-4-15(16)19(23)25)21-7-9-22(10-8-21)17-5-6-18(17)24/h3-4,11-13,17-18,24H,5-10H2,1-2H3
InChIKeyDGDUMCOEGROUHR-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897247
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897520
3-(cyclopropylmethyl)-7-[4-(2-hydroxycyclopentyl)piperazin-1-yl]quinazolin-4-one
CID 126897903
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
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897294
7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897457

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897590) is 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2cc(N3CCN(C4CCC4O)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is DGDUMCOEGROUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)23-12-20-16-11-14(3-4-15(16)19(23)25)21-7-9-22(10-8-21)17-5-6-18(17)24/h3-4,11-13,17-18,24H,5-10H2,1-2H3.
What are the key properties of 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).