3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one

C10H14N2O2 — CID 54589506

IUPAC3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(ncn1CCO)CCCC2
InChIInChI=1S/C10H14N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h7,13H,1-6H2
InChIKeyXPRAQWJOFYWXMT-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.11
Rot. Bonds2

About 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one

3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 54589506) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID54589506
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESO=c1c2c(ncn1CCO)CCCC2
InChIInChI=1S/C10H14N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h7,13H,1-6H2
InChIKeyXPRAQWJOFYWXMT-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hexyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239521
3-(2-Methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239522
3-(3-fluoro-2-hydroxypropyl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CID 165786912
3-(2-Methoxy-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)propanal
CID 57927591
N-[3-(2-hydroxyethyl)-2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylacetamide
CID 171568630
2-(4-Oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetic acid
CID 71563742
3-[[(2S)-oxiran-2-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 130815807
3-(2-hydroxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130847634
3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130943852
3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130963988
2-(4-Oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetaldehyde
CID 130992694
3-(Prop-2-yn-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 131005777

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 54589506) is 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one is O=c1c2c(ncn1CCO)CCCC2.
What is the InChIKey of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is XPRAQWJOFYWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h7,13H,1-6H2.
What are the key properties of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 54589506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).