2-quinazolin-7-ylacetic acid

C10H8N2O2 — CID 145403283

IUPAC2-quinazolin-7-ylacetic acid
SMILESO=C(O)Cc1ccc2cncnc2c1
InChIInChI=1S/C10H8N2O2/c13-10(14)4-7-1-2-8-5-11-6-12-9(8)3-7/h1-3,5-6H,4H2,(H,13,14)
InChIKeyBCGSPULGQRSWIF-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.26
Rot. Bonds2

About 2-quinazolin-7-ylacetic acid

2-quinazolin-7-ylacetic acid (PubChem CID 145403283) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-quinazolin-7-ylacetic acid.

Molecular Properties

Compound Name2-quinazolin-7-ylacetic acid
PubChem CID145403283
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-quinazolin-7-ylacetic acid
SMILESO=C(O)Cc1ccc2cncnc2c1
InChIInChI=1S/C10H8N2O2/c13-10(14)4-7-1-2-8-5-11-6-12-9(8)3-7/h1-3,5-6H,4H2,(H,13,14)
InChIKeyBCGSPULGQRSWIF-UHFFFAOYSA-N
XLogP1.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-7-ylacetic acid?
The IUPAC name of 2-quinazolin-7-ylacetic acid (CID 145403283) is 2-quinazolin-7-ylacetic acid.
What is the SMILES notation for 2-quinazolin-7-ylacetic acid?
The canonical SMILES for 2-quinazolin-7-ylacetic acid is O=C(O)Cc1ccc2cncnc2c1.
What is the InChIKey of 2-quinazolin-7-ylacetic acid?
The InChIKey is BCGSPULGQRSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)4-7-1-2-8-5-11-6-12-9(8)3-7/h1-3,5-6H,4H2,(H,13,14).
What are the key properties of 2-quinazolin-7-ylacetic acid?
2-quinazolin-7-ylacetic acid has a molecular weight of 188.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-7-ylacetic acid is sourced from PubChem (CID 145403283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).