methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate

C24H21ClN2O5 — CID 23077483

IUPACmethyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C24H21ClN2O5/c1-31-24(30)19-14-26-10-11-27(13-17-8-5-9-18(25)12-17)23(29)20(26)22(21(19)28)32-15-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3
InChIKeyHUIOWGSBEIEMIO-UHFFFAOYSA-N
MW452.89 g/mol
LogP3.52
Rot. Bonds6

About methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate

methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate (PubChem CID 23077483) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate
PubChem CID23077483
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Namemethyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C24H21ClN2O5/c1-31-24(30)19-14-26-10-11-27(13-17-8-5-9-18(25)12-17)23(29)20(26)22(21(19)28)32-15-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3
InChIKeyHUIOWGSBEIEMIO-UHFFFAOYSA-N
XLogP3.52
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

4-[[4-[(3-chlorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzoic acid
CID 53214174
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
6-(aminomethyl)-7-bromo-2-[(3-chloro-4-fluorophenyl)methyl]-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2,2,2-trifluoroacetic acid
CID 118898919
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
CID 90901471
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 159527424
methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
CID 130410671
1,3-bis[(4-fluorophenyl)methyl]-N-methoxy-N-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 88612427
1-(2,2-dimethoxyethyl)-6-methoxycarbonyl-4-oxo-5-phenylmethoxypyridine-3-carboxylic acid
CID 134830452
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
5-[(3-chloro-4-fluorophenyl)methyl]-8-phenylmethoxy-15-oxa-2,5-diazatricyclo[8.6.0.02,7]hexadeca-1(10),7,12-triene-6,9-dione
CID 123556395
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate (CID 23077483) is methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate is COC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate?
The InChIKey is HUIOWGSBEIEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c1-31-24(30)19-14-26-10-11-27(13-17-8-5-9-18(25)12-17)23(29)20(26)22(21(19)28)32-15-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3.
What are the key properties of methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate?
methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate has a molecular weight of 452.89 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 23077483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).