2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid

C26H22N2O2 — CID 164611068

IUPAC2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1
InChIInChI=1S/C26H22N2O2/c29-26(30)21-12-10-20(15-22(21)18-8-4-5-9-18)25-23-14-19(17-6-2-1-3-7-17)11-13-24(23)27-16-28-25/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,29,30)
InChIKeyHDVBNYJXZKZVTD-UHFFFAOYSA-N
MW394.47 g/mol
LogP6.32
Rot. Bonds4

About 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid

2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid (PubChem CID 164611068) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid
PubChem CID164611068
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1
InChIInChI=1S/C26H22N2O2/c29-26(30)21-12-10-20(15-22(21)18-8-4-5-9-18)25-23-14-19(17-6-2-1-3-7-17)11-13-24(23)27-16-28-25/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,29,30)
InChIKeyHDVBNYJXZKZVTD-UHFFFAOYSA-N
XLogP6.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid?
The IUPAC name of 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid (CID 164611068) is 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid is O=C(O)c1ccc(-c2ncnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid?
The InChIKey is HDVBNYJXZKZVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c29-26(30)21-12-10-20(15-22(21)18-8-4-5-9-18)25-23-14-19(17-6-2-1-3-7-17)11-13-24(23)27-16-28-25/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,29,30).
What are the key properties of 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid?
2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid has a molecular weight of 394.47 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(6-phenylquinazolin-4-yl)benzoic acid is sourced from PubChem (CID 164611068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).