4-cyclopentyloxyquinazoline-2-carboxylic acid

C14H14N2O3 — CID 55251807

IUPAC4-cyclopentyloxyquinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(OC2CCCC2)c2ccccc2n1
InChIInChI=1S/C14H14N2O3/c17-14(18)12-15-11-8-4-3-7-10(11)13(16-12)19-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyVGWSILQTURRZMV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.65
Rot. Bonds3

About 4-cyclopentyloxyquinazoline-2-carboxylic acid

4-cyclopentyloxyquinazoline-2-carboxylic acid (PubChem CID 55251807) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-cyclopentyloxyquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxyquinazoline-2-carboxylic acid
PubChem CID55251807
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-cyclopentyloxyquinazoline-2-carboxylic acid
SMILESO=C(O)c1nc(OC2CCCC2)c2ccccc2n1
InChIInChI=1S/C14H14N2O3/c17-14(18)12-15-11-8-4-3-7-10(11)13(16-12)19-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyVGWSILQTURRZMV-UHFFFAOYSA-N
XLogP2.65
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyloxyquinazolin-2-amine
CID 80873380
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid
CID 116792564
4-[methyl(oxan-4-yl)amino]quinazoline-2-carboxylic acid
CID 63867257
4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
CID 63867559
4-(4,4,4-trifluorobutoxy)quinazoline-2-carboxylic acid
CID 82781639
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
4-(oxan-4-ylsulfanyl)quinazoline-2-carboxylic acid
CID 63869104
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxyquinazoline-2-carboxylic acid?
The IUPAC name of 4-cyclopentyloxyquinazoline-2-carboxylic acid (CID 55251807) is 4-cyclopentyloxyquinazoline-2-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxyquinazoline-2-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxyquinazoline-2-carboxylic acid is O=C(O)c1nc(OC2CCCC2)c2ccccc2n1.
What is the InChIKey of 4-cyclopentyloxyquinazoline-2-carboxylic acid?
The InChIKey is VGWSILQTURRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18)12-15-11-8-4-3-7-10(11)13(16-12)19-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,17,18).
What are the key properties of 4-cyclopentyloxyquinazoline-2-carboxylic acid?
4-cyclopentyloxyquinazoline-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxyquinazoline-2-carboxylic acid is sourced from PubChem (CID 55251807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).