2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C14H18N2O2 — CID 81423766

IUPAC2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(C3CCCC3)ncc2C1
InChIInChI=1S/C14H18N2O2/c17-14(18)10-5-6-12-11(7-10)8-15-13(16-12)9-3-1-2-4-9/h8-10H,1-7H2,(H,17,18)
InChIKeyVDOOFJHGYDYVBA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds2

About 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423766) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423766
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(C3CCCC3)ncc2C1
InChIInChI=1S/C14H18N2O2/c17-14(18)10-5-6-12-11(7-10)8-15-13(16-12)9-3-1-2-4-9/h8-10H,1-7H2,(H,17,18)
InChIKeyVDOOFJHGYDYVBA-UHFFFAOYSA-N
XLogP2.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423766) is 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is O=C(O)C1CCc2nc(C3CCCC3)ncc2C1.
What is the InChIKey of 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is VDOOFJHGYDYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)10-5-6-12-11(7-10)8-15-13(16-12)9-3-1-2-4-9/h8-10H,1-7H2,(H,17,18).
What are the key properties of 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).