2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid

C15H21N3O2 — CID 83290534

IUPAC2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
SMILESCC1CCN(c2ncc3c(n2)CC(C(=O)O)CC3)CC1
InChIInChI=1S/C15H21N3O2/c1-10-4-6-18(7-5-10)15-16-9-12-3-2-11(14(19)20)8-13(12)17-15/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyLQAHQSCFHVUSLI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid

2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid (PubChem CID 83290534) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
PubChem CID83290534
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
SMILESCC1CCN(c2ncc3c(n2)CC(C(=O)O)CC3)CC1
InChIInChI=1S/C15H21N3O2/c1-10-4-6-18(7-5-10)15-16-9-12-3-2-11(14(19)20)8-13(12)17-15/h9-11H,2-8H2,1H3,(H,19,20)
InChIKeyLQAHQSCFHVUSLI-UHFFFAOYSA-N
XLogP1.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid (CID 83290534) is 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid is CC1CCN(c2ncc3c(n2)CC(C(=O)O)CC3)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid?
The InChIKey is LQAHQSCFHVUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-4-6-18(7-5-10)15-16-9-12-3-2-11(14(19)20)8-13(12)17-15/h9-11H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid?
2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-7-carboxylic acid is sourced from PubChem (CID 83290534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).