6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one

C10H9ClN2O2 — CID 137201177

IUPAC6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
SMILESC[C@@H](O)c1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-5(14)9-12-8-3-2-6(11)4-7(8)10(15)13-9/h2-5,14H,1H3,(H,12,13,15)/t5-/m1/s1
InChIKeyVBOAEYWMPGMFJI-RXMQYKEDSA-N
MW224.65 g/mol
LogP1.63
Rot. Bonds1

About 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one

6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one (PubChem CID 137201177) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
PubChem CID137201177
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
SMILESC[C@@H](O)c1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C10H9ClN2O2/c1-5(14)9-12-8-3-2-6(11)4-7(8)10(15)13-9/h2-5,14H,1H3,(H,12,13,15)/t5-/m1/s1
InChIKeyVBOAEYWMPGMFJI-RXMQYKEDSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-3H-quinazolin-4-one
CID 135742281
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 136638285
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
6-chloro-2-[[(1S)-1-cyclohexylethyl]amino]-3H-quinazolin-4-one
CID 135407746
6-chloro-2-[(1Z,3Z)-1-chloro-3-methyl-4-phenylbuta-1,3-dienyl]-3H-quinazolin-4-one
CID 136730776
(2S)-3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)-3-oxopropanenitrile
CID 135777907
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 166120129

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one (CID 137201177) is 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one is C[C@@H](O)c1nc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
The InChIKey is VBOAEYWMPGMFJI-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-5(14)9-12-8-3-2-6(11)4-7(8)10(15)13-9/h2-5,14H,1H3,(H,12,13,15)/t5-/m1/s1.
What are the key properties of 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one has a molecular weight of 224.65 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137201177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).