3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid

C11H9ClN2O3 — CID 117264856

IUPAC3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2c(Cl)cccc2c1=O
InChIInChI=1S/C11H9ClN2O3/c12-8-3-1-2-7-10(8)13-6-14(11(7)17)5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyRRRQCZRCWGWDMQ-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.52
Rot. Bonds3

About 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid

3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 117264856) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID117264856
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2c(Cl)cccc2c1=O
InChIInChI=1S/C11H9ClN2O3/c12-8-3-1-2-7-10(8)13-6-14(11(7)17)5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyRRRQCZRCWGWDMQ-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860
3-(5-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117263812
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid (CID 117264856) is 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid is O=C(O)CCn1cnc2c(Cl)cccc2c1=O.
What is the InChIKey of 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is RRRQCZRCWGWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-8-3-1-2-7-10(8)13-6-14(11(7)17)5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid?
3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 252.66 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117264856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).