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

C10H10N2O2 — CID 135564935

IUPAC2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
SMILESC[C@@H](O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-6,13H,1H3,(H,11,12,14)/t6-/m1/s1
InChIKeyBMBSGGZMJQTQSO-ZCFIWIBFSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds1

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

2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one (PubChem CID 135564935) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
PubChem CID135564935
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
SMILESC[C@@H](O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-6,13H,1H3,(H,11,12,14)/t6-/m1/s1
InChIKeyBMBSGGZMJQTQSO-ZCFIWIBFSA-N
XLogP0.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one (CID 135564935) is 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one is C[C@@H](O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
The InChIKey is BMBSGGZMJQTQSO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-6,13H,1H3,(H,11,12,14)/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one?
2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135564935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).