3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid

C11H9FN2O3 — CID 112707958

IUPAC3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C11H9FN2O3/c12-7-1-2-8-9(5-7)13-6-14(11(8)17)4-3-10(15)16/h1-2,5-6H,3-4H2,(H,15,16)
InChIKeyUURJQEUWYMJWLG-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.01
Rot. Bonds3

About 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid

3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 112707958) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID112707958
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C11H9FN2O3/c12-7-1-2-8-9(5-7)13-6-14(11(8)17)4-3-10(15)16/h1-2,5-6H,3-4H2,(H,15,16)
InChIKeyUURJQEUWYMJWLG-UHFFFAOYSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid (CID 112707958) is 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid is O=C(O)CCn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is UURJQEUWYMJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-7-1-2-8-9(5-7)13-6-14(11(8)17)4-3-10(15)16/h1-2,5-6H,3-4H2,(H,15,16).
What are the key properties of 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid?
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 236.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 112707958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).