7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone

C16H17N3O3 — CID 72719412

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCc3ncncc3C2)c1OC
InChIInChI=1S/C16H17N3O3/c1-21-14-5-3-4-12(15(14)22-2)16(20)19-7-6-13-11(9-19)8-17-10-18-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyDIORCRSPNWPVOE-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.69
Rot. Bonds3

About 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone (PubChem CID 72719412) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone
PubChem CID72719412
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCc3ncncc3C2)c1OC
InChIInChI=1S/C16H17N3O3/c1-21-14-5-3-4-12(15(14)22-2)16(20)19-7-6-13-11(9-19)8-17-10-18-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyDIORCRSPNWPVOE-UHFFFAOYSA-N
XLogP1.69
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone 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 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone (CID 72719412) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)N2CCc3ncncc3C2)c1OC.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone?
The InChIKey is DIORCRSPNWPVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-14-5-3-4-12(15(14)22-2)16(20)19-7-6-13-11(9-19)8-17-10-18-13/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone has a molecular weight of 299.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 72719412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).