7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid

C15H15N3O2 — CID 58999581

IUPAC7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15N3O2/c19-15(20)14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20)
InChIKeyBNBCQAHXSGYAEL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.73
Rot. Bonds3

About 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid

7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 58999581) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID58999581
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15N3O2/c19-15(20)14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20)
InChIKeyBNBCQAHXSGYAEL-UHFFFAOYSA-N
XLogP1.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-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 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid (CID 58999581) is 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid is O=C(O)c1ncnc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is BNBCQAHXSGYAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20).
What are the key properties of 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid?
7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58999581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).