2-cyclopentyl-4-quinazolin-4-ylbenzoic acid

C20H18N2O2 — CID 164626244

IUPAC2-cyclopentyl-4-quinazolin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ncnc3ccccc23)cc1C1CCCC1
InChIInChI=1S/C20H18N2O2/c23-20(24)15-10-9-14(11-17(15)13-5-1-2-6-13)19-16-7-3-4-8-18(16)21-12-22-19/h3-4,7-13H,1-2,5-6H2,(H,23,24)
InChIKeyRAWJLYJQCYKFKV-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.65
Rot. Bonds3

About 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid

2-cyclopentyl-4-quinazolin-4-ylbenzoic acid (PubChem CID 164626244) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-quinazolin-4-ylbenzoic acid
PubChem CID164626244
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-cyclopentyl-4-quinazolin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ncnc3ccccc23)cc1C1CCCC1
InChIInChI=1S/C20H18N2O2/c23-20(24)15-10-9-14(11-17(15)13-5-1-2-6-13)19-16-7-3-4-8-18(16)21-12-22-19/h3-4,7-13H,1-2,5-6H2,(H,23,24)
InChIKeyRAWJLYJQCYKFKV-UHFFFAOYSA-N
XLogP4.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid?
The IUPAC name of 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid (CID 164626244) is 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid?
The canonical SMILES for 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid is O=C(O)c1ccc(-c2ncnc3ccccc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid?
The InChIKey is RAWJLYJQCYKFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(24)15-10-9-14(11-17(15)13-5-1-2-6-13)19-16-7-3-4-8-18(16)21-12-22-19/h3-4,7-13H,1-2,5-6H2,(H,23,24).
What are the key properties of 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid?
2-cyclopentyl-4-quinazolin-4-ylbenzoic acid has a molecular weight of 318.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-quinazolin-4-ylbenzoic acid is sourced from PubChem (CID 164626244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).