4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid

C15H15N3O2 — CID 106314467

IUPAC4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid
SMILESCC1=CCCN(c2nc(C(=O)O)nc3ccccc23)C1
InChIInChI=1S/C15H15N3O2/c1-10-5-4-8-18(9-10)14-11-6-2-3-7-12(11)16-13(17-14)15(19)20/h2-3,5-7H,4,8-9H2,1H3,(H,19,20)
InChIKeyWOKORKPMYKQIAW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.48
Rot. Bonds2

About 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid

4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid (PubChem CID 106314467) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid
PubChem CID106314467
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid
SMILESCC1=CCCN(c2nc(C(=O)O)nc3ccccc23)C1
InChIInChI=1S/C15H15N3O2/c1-10-5-4-8-18(9-10)14-11-6-2-3-7-12(11)16-13(17-14)15(19)20/h2-3,5-7H,4,8-9H2,1H3,(H,19,20)
InChIKeyWOKORKPMYKQIAW-UHFFFAOYSA-N
XLogP2.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid?
The IUPAC name of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid (CID 106314467) is 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid?
The canonical SMILES for 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid is CC1=CCCN(c2nc(C(=O)O)nc3ccccc23)C1.
What is the InChIKey of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid?
The InChIKey is WOKORKPMYKQIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-5-4-8-18(9-10)14-11-6-2-3-7-12(11)16-13(17-14)15(19)20/h2-3,5-7H,4,8-9H2,1H3,(H,19,20).
What are the key properties of 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid?
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinazoline-2-carboxylic acid is sourced from PubChem (CID 106314467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).