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

C17H19N3O2 — CID 24930235

IUPACmethyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCc3cnc(C)nc3C2)c1
InChIInChI=1S/C17H19N3O2/c1-12-18-9-15-6-7-20(11-16(15)19-12)10-13-4-3-5-14(8-13)17(21)22-2/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyUHGWSNOUWZZSCX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.13
Rot. Bonds3

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

methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate (PubChem CID 24930235) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
PubChem CID24930235
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namemethyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCc3cnc(C)nc3C2)c1
InChIInChI=1S/C17H19N3O2/c1-12-18-9-15-6-7-20(11-16(15)19-12)10-13-4-3-5-14(8-13)17(21)22-2/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyUHGWSNOUWZZSCX-UHFFFAOYSA-N
XLogP2.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate with MolForge

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Related Compounds

methyl 3-[(2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
CID 24930232
methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate
CID 24916635
7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153441
ethyl 4-[(3-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 78789966
methyl 3-[[2-(4-chlorophenyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]methyl]benzoate
CID 135865861
methyl 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]benzoate
CID 59382052
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
methyl 3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]benzoate
CID 89474829
7-[(3-methylphenyl)methyl]-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930213
methyl 3-[[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoate
CID 9435369
methyl 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]benzoate
CID 30410977
methyl 3-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoate
CID 10356505

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate?
The IUPAC name of methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate (CID 24930235) is methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate?
The canonical SMILES for methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate is COC(=O)c1cccc(CN2CCc3cnc(C)nc3C2)c1.
What is the InChIKey of methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate?
The InChIKey is UHGWSNOUWZZSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-18-9-15-6-7-20(11-16(15)19-12)10-13-4-3-5-14(8-13)17(21)22-2/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate?
methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate has a molecular weight of 297.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate is sourced from PubChem (CID 24930235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).