7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one

C16H13ClN2O2 — CID 17407106

IUPAC7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1CC(O)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-12-6-7-13-14(8-12)18-10-19(16(13)21)9-15(20)11-4-2-1-3-5-11/h1-8,10,15,20H,9H2
InChIKeyACSKCKDYESHYPN-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.78
Rot. Bonds3

About 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one

7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one (PubChem CID 17407106) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
PubChem CID17407106
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1CC(O)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-12-6-7-13-14(8-12)18-10-19(16(13)21)9-15(20)11-4-2-1-3-5-11/h1-8,10,15,20H,9H2
InChIKeyACSKCKDYESHYPN-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6,7-difluoroquinazolin-4-one
CID 111336462
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
3-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
CID 32515769
3-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
CID 32515761
7-chloro-3-[2-hydroxy-3-(5-methylbenzotriazol-1-yl)propyl]quinazolin-4-one
CID 162649334
4-[3-(7-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzonitrile
CID 17464254
3-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-nitroquinazolin-4-one
CID 110884540
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
7-chloro-3-[[1-[(3S)-4-hydroxy-3-phenylbutanoyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 138506180

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one (CID 17407106) is 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one is O=c1c2ccc(Cl)cc2ncn1CC(O)c1ccccc1.
What is the InChIKey of 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one?
The InChIKey is ACSKCKDYESHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-6-7-13-14(8-12)18-10-19(16(13)21)9-15(20)11-4-2-1-3-5-11/h1-8,10,15,20H,9H2.
What are the key properties of 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one?
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one has a molecular weight of 300.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 17407106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).