6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one

C16H18F2N2O3 — CID 167924530

IUPAC6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one
SMILESO=c1c2cc(F)c(F)cc2ncn1CC(O)CC1(O)CCCC1
InChIInChI=1S/C16H18F2N2O3/c17-12-5-11-14(6-13(12)18)19-9-20(15(11)22)8-10(21)7-16(23)3-1-2-4-16/h5-6,9-10,21,23H,1-4,7-8H2
InChIKeyQDYJBZJVVBUWKY-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.73
Rot. Bonds4

About 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one

6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one (PubChem CID 167924530) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one
PubChem CID167924530
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one
SMILESO=c1c2cc(F)c(F)cc2ncn1CC(O)CC1(O)CCCC1
InChIInChI=1S/C16H18F2N2O3/c17-12-5-11-14(6-13(12)18)19-9-20(15(11)22)8-10(21)7-16(23)3-1-2-4-16/h5-6,9-10,21,23H,1-4,7-8H2
InChIKeyQDYJBZJVVBUWKY-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyclopentyl-2-hydroxypropyl)-6,7-difluoroquinazolin-4-one
CID 119045927
3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6,7-difluoroquinazolin-4-one
CID 111336462
3-(2,3-dimethylbutyl)-6,7-difluoroquinazolin-4-one
CID 163775535
3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6,7-difluoroquinazolin-4-one
CID 146670858
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
3-[(1-hydroxycyclohexyl)methyl]-6-nitroquinazolin-4-one
CID 47556352
(2S)-2-[(7-fluoro-6-methyl-4-oxoquinazolin-3-yl)methyl]pentanedinitrile
CID 129398368
(2R)-2-[(7-fluoro-6-methyl-4-oxoquinazolin-3-yl)methyl]pentanedinitrile
CID 129398367
6,7-difluoro-3-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 139370355
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one?
The IUPAC name of 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one (CID 167924530) is 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one.
What is the SMILES notation for 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one?
The canonical SMILES for 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one is O=c1c2cc(F)c(F)cc2ncn1CC(O)CC1(O)CCCC1.
What is the InChIKey of 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one?
The InChIKey is QDYJBZJVVBUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-12-5-11-14(6-13(12)18)19-9-20(15(11)22)8-10(21)7-16(23)3-1-2-4-16/h5-6,9-10,21,23H,1-4,7-8H2.
What are the key properties of 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one?
6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one has a molecular weight of 324.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-[2-hydroxy-3-(1-hydroxycyclopentyl)propyl]quinazolin-4-one is sourced from PubChem (CID 167924530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).