3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one

C22H26N6O2 — CID 126898874

IUPAC3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4ncnc5c4CCCC5)CC3)cc2ncn1CCO
InChIInChI=1S/C22H26N6O2/c29-12-11-28-15-25-20-13-16(5-6-18(20)22(28)30)26-7-9-27(10-8-26)21-17-3-1-2-4-19(17)23-14-24-21/h5-6,13-15,29H,1-4,7-12H2
InChIKeyGIFPTUORBRMQNQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.38
Rot. Bonds4

About 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one

3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126898874) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126898874
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4ncnc5c4CCCC5)CC3)cc2ncn1CCO
InChIInChI=1S/C22H26N6O2/c29-12-11-28-15-25-20-13-16(5-6-18(20)22(28)30)26-7-9-27(10-8-26)21-17-3-1-2-4-19(17)23-14-24-21/h5-6,13-15,29H,1-4,7-12H2
InChIKeyGIFPTUORBRMQNQ-UHFFFAOYSA-N
XLogP1.38
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-hydroxyethyl)-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898945
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
3-(2-hydroxyethyl)-7-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898928
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898777
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898761
7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898632
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one (CID 126898874) is 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one is O=c1c2ccc(N3CCN(c4ncnc5c4CCCC5)CC3)cc2ncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is GIFPTUORBRMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-12-11-28-15-25-20-13-16(5-6-18(20)22(28)30)26-7-9-27(10-8-26)21-17-3-1-2-4-19(17)23-14-24-21/h5-6,13-15,29H,1-4,7-12H2.
What are the key properties of 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 406.49 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).