2-(8-chloroquinazolin-4-yl)acetic acid

C10H7ClN2O2 — CID 105479928

IUPAC2-(8-chloroquinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1ncnc2c(Cl)cccc12
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-2-6-8(4-9(14)15)12-5-13-10(6)7/h1-3,5H,4H2,(H,14,15)
InChIKeyKYRLLWXOOBTVPN-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.91
Rot. Bonds2

About 2-(8-chloroquinazolin-4-yl)acetic acid

2-(8-chloroquinazolin-4-yl)acetic acid (PubChem CID 105479928) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-(8-chloroquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloroquinazolin-4-yl)acetic acid
PubChem CID105479928
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-(8-chloroquinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1ncnc2c(Cl)cccc12
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-2-6-8(4-9(14)15)12-5-13-10(6)7/h1-3,5H,4H2,(H,14,15)
InChIKeyKYRLLWXOOBTVPN-UHFFFAOYSA-N
XLogP1.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloroquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(8-chloroquinazolin-4-yl)acetic acid (CID 105479928) is 2-(8-chloroquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(8-chloroquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(8-chloroquinazolin-4-yl)acetic acid is O=C(O)Cc1ncnc2c(Cl)cccc12.
What is the InChIKey of 2-(8-chloroquinazolin-4-yl)acetic acid?
The InChIKey is KYRLLWXOOBTVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6-8(4-9(14)15)12-5-13-10(6)7/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-(8-chloroquinazolin-4-yl)acetic acid?
2-(8-chloroquinazolin-4-yl)acetic acid has a molecular weight of 222.63 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloroquinazolin-4-yl)acetic acid is sourced from PubChem (CID 105479928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).