2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid

C10H6ClFN2O2 — CID 84800593

IUPAC2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid
SMILESO=C(O)Cc1nc(Cl)c2cccc(F)c2n1
InChIInChI=1S/C10H6ClFN2O2/c11-10-5-2-1-3-6(12)9(5)13-7(14-10)4-8(15)16/h1-3H,4H2,(H,15,16)
InChIKeyRPDKRHJODBNROQ-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.05
Rot. Bonds2

About 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid

2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid (PubChem CID 84800593) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid
PubChem CID84800593
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid
SMILESO=C(O)Cc1nc(Cl)c2cccc(F)c2n1
InChIInChI=1S/C10H6ClFN2O2/c11-10-5-2-1-3-6(12)9(5)13-7(14-10)4-8(15)16/h1-3H,4H2,(H,15,16)
InChIKeyRPDKRHJODBNROQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid?
The IUPAC name of 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid (CID 84800593) is 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid is O=C(O)Cc1nc(Cl)c2cccc(F)c2n1.
What is the InChIKey of 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid?
The InChIKey is RPDKRHJODBNROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-10-5-2-1-3-6(12)9(5)13-7(14-10)4-8(15)16/h1-3H,4H2,(H,15,16).
What are the key properties of 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid?
2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid has a molecular weight of 240.62 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid is sourced from PubChem (CID 84800593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).