2-(7-chloroquinazolin-4-yl)propanoic acid

C11H9ClN2O2 — CID 105498337

IUPAC2-(7-chloroquinazolin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C11H9ClN2O2/c1-6(11(15)16)10-8-3-2-7(12)4-9(8)13-5-14-10/h2-6H,1H3,(H,15,16)
InChIKeyVYKPCKDHXQEHNY-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.47
Rot. Bonds2

About 2-(7-chloroquinazolin-4-yl)propanoic acid

2-(7-chloroquinazolin-4-yl)propanoic acid (PubChem CID 105498337) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(7-chloroquinazolin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-chloroquinazolin-4-yl)propanoic acid
PubChem CID105498337
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(7-chloroquinazolin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ncnc2cc(Cl)ccc12
InChIInChI=1S/C11H9ClN2O2/c1-6(11(15)16)10-8-3-2-7(12)4-9(8)13-5-14-10/h2-6H,1H3,(H,15,16)
InChIKeyVYKPCKDHXQEHNY-UHFFFAOYSA-N
XLogP2.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinazolin-4-yl)propanoic acid?
The IUPAC name of 2-(7-chloroquinazolin-4-yl)propanoic acid (CID 105498337) is 2-(7-chloroquinazolin-4-yl)propanoic acid.
What is the SMILES notation for 2-(7-chloroquinazolin-4-yl)propanoic acid?
The canonical SMILES for 2-(7-chloroquinazolin-4-yl)propanoic acid is CC(C(=O)O)c1ncnc2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloroquinazolin-4-yl)propanoic acid?
The InChIKey is VYKPCKDHXQEHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-6(11(15)16)10-8-3-2-7(12)4-9(8)13-5-14-10/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(7-chloroquinazolin-4-yl)propanoic acid?
2-(7-chloroquinazolin-4-yl)propanoic acid has a molecular weight of 236.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinazolin-4-yl)propanoic acid is sourced from PubChem (CID 105498337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).