2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid

C10H6Cl2N2O3 — CID 117263802

IUPAC2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1c(Cl)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C10H6Cl2N2O3/c11-5-2-1-3-6-8(5)9(17)14(4-7(15)16)10(12)13-6/h1-3H,4H2,(H,15,16)
InChIKeyWGJARUSXKPMIGI-UHFFFAOYSA-N
MW273.07 g/mol
LogP1.79
Rot. Bonds2

About 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid

2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid (PubChem CID 117263802) has the molecular formula C10H6Cl2N2O3 and a molecular weight of 273.07 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
PubChem CID117263802
Molecular FormulaC10H6Cl2N2O3
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1c(Cl)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C10H6Cl2N2O3/c11-5-2-1-3-6-8(5)9(17)14(4-7(15)16)10(12)13-6/h1-3H,4H2,(H,15,16)
InChIKeyWGJARUSXKPMIGI-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
2-(2-chloro-7-hydroxybenzimidazol-1-yl)acetic acid
CID 84791106
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
CID 84800608
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
3-(5-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117263812
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
CID 117263866
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 11276421

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid (CID 117263802) is 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid is O=C(O)Cn1c(Cl)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid?
The InChIKey is WGJARUSXKPMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3/c11-5-2-1-3-6-8(5)9(17)14(4-7(15)16)10(12)13-6/h1-3H,4H2,(H,15,16).
What are the key properties of 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid?
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid has a molecular weight of 273.07 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid is sourced from PubChem (CID 117263802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).