6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one

C18H16Cl2N2O4 — CID 42888318

IUPAC6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one
SMILESCOc1ccc(OCC(O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-13-2-4-14(5-3-13)26-9-12(23)8-22-10-21-17-15(18(22)24)6-11(19)7-16(17)20/h2-7,10,12,23H,8-9H2,1H3
InChIKeyTWVAHSMJPZSWOS-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.15
Rot. Bonds6

About 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one

6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one (PubChem CID 42888318) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one
PubChem CID42888318
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one
SMILESCOc1ccc(OCC(O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-13-2-4-14(5-3-13)26-9-12(23)8-22-10-21-17-15(18(22)24)6-11(19)7-16(17)20/h2-7,10,12,23H,8-9H2,1H3
InChIKeyTWVAHSMJPZSWOS-UHFFFAOYSA-N
XLogP3.15
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dichloro-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 42942844
6,8-dichloro-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 30759999
4-[3-(7-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzonitrile
CID 17464254
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 24657952
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 742001
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077147
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
CID 31076436
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one (CID 42888318) is 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one is COc1ccc(OCC(O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one?
The InChIKey is TWVAHSMJPZSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-25-13-2-4-14(5-3-13)26-9-12(23)8-22-10-21-17-15(18(22)24)6-11(19)7-16(17)20/h2-7,10,12,23H,8-9H2,1H3.
What are the key properties of 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one?
6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one has a molecular weight of 395.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one is sourced from PubChem (CID 42888318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).