methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate

C15H14ClN3O2 — CID 114738138

IUPACmethyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(Cl)c2)nc2c1CNCC2
InChIInChI=1S/C15H14ClN3O2/c1-21-15(20)13-11-8-17-6-5-12(11)18-14(19-13)9-3-2-4-10(16)7-9/h2-4,7,17H,5-6,8H2,1H3
InChIKeyVGKIGXNWVAHZQK-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.23
Rot. Bonds2

About methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate

methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (PubChem CID 114738138) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
PubChem CID114738138
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Namemethyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccc(Cl)c2)nc2c1CNCC2
InChIInChI=1S/C15H14ClN3O2/c1-21-15(20)13-11-8-17-6-5-12(11)18-14(19-13)9-3-2-4-10(16)7-9/h2-4,7,17H,5-6,8H2,1H3
InChIKeyVGKIGXNWVAHZQK-UHFFFAOYSA-N
XLogP2.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738183
methyl 2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738174
2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 114738775
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168
methyl 2-(5-bromo-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738247
methyl 2-(1,3-thiazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738243
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
methyl 2-thiophen-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741511
methyl 2-cycloheptyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738187
N-[2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]acetamide
CID 133349083
methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
CID 168937747
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (CID 114738138) is methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is COC(=O)c1nc(-c2cccc(Cl)c2)nc2c1CNCC2.
What is the InChIKey of methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The InChIKey is VGKIGXNWVAHZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-21-15(20)13-11-8-17-6-5-12(11)18-14(19-13)9-3-2-4-10(16)7-9/h2-4,7,17H,5-6,8H2,1H3.
What are the key properties of methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate has a molecular weight of 303.75 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114738138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).