3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one

C19H17ClN2O4 — CID 17444876

IUPAC3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one
SMILESCC(=O)c1cccc(OCC(O)Cn2cnc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C19H17ClN2O4/c1-12(23)13-3-2-4-16(7-13)26-10-15(24)9-22-11-21-18-8-14(20)5-6-17(18)19(22)25/h2-8,11,15,24H,9-10H2,1H3
InChIKeyWRVOXPCNWVGNPV-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.69
Rot. Bonds6

About 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one

3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one (PubChem CID 17444876) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one
PubChem CID17444876
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one
SMILESCC(=O)c1cccc(OCC(O)Cn2cnc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C19H17ClN2O4/c1-12(23)13-3-2-4-16(7-13)26-10-15(24)9-22-11-21-18-8-14(20)5-6-17(18)19(22)25/h2-8,11,15,24H,9-10H2,1H3
InChIKeyWRVOXPCNWVGNPV-UHFFFAOYSA-N
XLogP2.69
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one?
The IUPAC name of 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one (CID 17444876) is 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one.
What is the SMILES notation for 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one?
The canonical SMILES for 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one is CC(=O)c1cccc(OCC(O)Cn2cnc3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one?
The InChIKey is WRVOXPCNWVGNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-12(23)13-3-2-4-16(7-13)26-10-15(24)9-22-11-21-18-8-14(20)5-6-17(18)19(22)25/h2-8,11,15,24H,9-10H2,1H3.
What are the key properties of 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one?
3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one has a molecular weight of 372.81 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-acetylphenoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one is sourced from PubChem (CID 17444876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).