methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate

C20H16ClN5O3 — CID 58527409

IUPACmethyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(C#N)c3)c2n1
InChIInChI=1S/C20H16ClN5O3/c1-28-19(27)15-10-14(21)17-18(23-15)16(13-4-2-3-12(9-13)11-22)24-20(25-17)26-5-7-29-8-6-26/h2-4,9-10H,5-8H2,1H3
InChIKeyHODXOIJJXPNBCZ-UHFFFAOYSA-N
MW409.83 g/mol
LogP2.84
Rot. Bonds3

About methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate

methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate (PubChem CID 58527409) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
PubChem CID58527409
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC Namemethyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(C#N)c3)c2n1
InChIInChI=1S/C20H16ClN5O3/c1-28-19(27)15-10-14(21)17-18(23-15)16(13-4-2-3-12(9-13)11-22)24-20(25-17)26-5-7-29-8-6-26/h2-4,9-10H,5-8H2,1H3
InChIKeyHODXOIJJXPNBCZ-UHFFFAOYSA-N
XLogP2.84
TPSA101.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl 4-(3-aminophenyl)-8-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 89044316
methyl 8-chloro-4-(4,5-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 91178291
8-(4-acetylpiperazin-1-yl)-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869633
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
methyl 4-cyano-2-morpholin-4-ylbenzoate
CID 171037112
ethane;methyl 7-chloro-3-(3-cyanophenyl)-1-(oxan-4-yl)indole-6-carboxylate
CID 178117293
methyl 4-chloro-2-(3-cyanophenyl)-1,3-thiazole-5-carboxylate
CID 79073335
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
3-(4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)benzonitrile
CID 168923756
1-(3-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
methyl 4,5,8-trichloro-6-methylquinoline-2-carboxylate
CID 113445998

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate (CID 58527409) is methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(C#N)c3)c2n1.
What is the InChIKey of methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is HODXOIJJXPNBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-28-19(27)15-10-14(21)17-18(23-15)16(13-4-2-3-12(9-13)11-22)24-20(25-17)26-5-7-29-8-6-26/h2-4,9-10H,5-8H2,1H3.
What are the key properties of methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 409.83 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-(3-cyanophenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 58527409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).