4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C15H21N3O2 — CID 81423772

IUPAC4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(N2CCCCC2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H21N3O2/c1-10-12-9-11(14(19)20)5-6-13(12)17-15(16-10)18-7-3-2-4-8-18/h11H,2-9H2,1H3,(H,19,20)
InChIKeyQJRNYGNUPNCLBT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds2

About 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423772) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423772
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(N2CCCCC2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H21N3O2/c1-10-12-9-11(14(19)20)5-6-13(12)17-15(16-10)18-7-3-2-4-8-18/h11H,2-9H2,1H3,(H,19,20)
InChIKeyQJRNYGNUPNCLBT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423772) is 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1nc(N2CCCCC2)nc2c1CC(C(=O)O)CC2.
What is the InChIKey of 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is QJRNYGNUPNCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-12-9-11(14(19)20)5-6-13(12)17-15(16-10)18-7-3-2-4-8-18/h11H,2-9H2,1H3,(H,19,20).
What are the key properties of 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).