5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one

C15H12ClN3O2 — CID 155453997

IUPAC5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one
SMILESCC(O)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C15H12ClN3O2/c1-9(20)14-18-12-6-2-5-11(16)13(12)15(21)19(14)10-4-3-7-17-8-10/h2-9,20H,1H3
InChIKeyOOUNGYACVBWKCM-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.49
Rot. Bonds2

About 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one

5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one (PubChem CID 155453997) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one
PubChem CID155453997
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one
SMILESCC(O)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C15H12ClN3O2/c1-9(20)14-18-12-6-2-5-11(16)13(12)15(21)19(14)10-4-3-7-17-8-10/h2-9,20H,1H3
InChIKeyOOUNGYACVBWKCM-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(1R)-1-hydroxyethyl]-3-pyridin-3-ylquinazolin-4-one
CID 155453969
[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
CID 141422285
2,4-diamino-6-[[(1S)-1-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-3-methylbutyl]amino]pyrimidine-5-carbonitrile
CID 86762967
[(1S)-1-[3-(5-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 141422293
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
tert-butyl-[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]carbamic acid
CID 166666957
2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
CID 145017894
(2S)-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 142740117
2-[(1S)-1-[(6-amino-5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-5-methylsulfonyl-3-pyridin-3-ylquinazolin-4-one
CID 118600613
5-chloro-2-[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 118493955
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one (CID 155453997) is 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one is CC(O)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1.
What is the InChIKey of 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one?
The InChIKey is OOUNGYACVBWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9(20)14-18-12-6-2-5-11(16)13(12)15(21)19(14)10-4-3-7-17-8-10/h2-9,20H,1H3.
What are the key properties of 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one?
5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one has a molecular weight of 301.73 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 155453997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).