methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate

C17H15Cl2N3O5 — CID 7680594

IUPACmethyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
SMILESCOC(=O)C1=C2C(=O)NCCN2[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C17H15Cl2N3O5/c1-27-17(26)13-12(23)7-11(22-5-4-20-16(25)14(13)22)15(24)21-10-3-2-8(18)6-9(10)19/h2-3,6,11H,4-5,7H2,1H3,(H,20,25)(H,21,24)/t11-/m1/s1
InChIKeyZBRQFRZXAZZWBA-LLVKDONJSA-N
MW412.23 g/mol
LogP1.13
Rot. Bonds3

About methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate

methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate (PubChem CID 7680594) has the molecular formula C17H15Cl2N3O5 and a molecular weight of 412.23 g/mol. Its IUPAC name is methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
PubChem CID7680594
Molecular FormulaC17H15Cl2N3O5
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC Namemethyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
SMILESCOC(=O)C1=C2C(=O)NCCN2[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C17H15Cl2N3O5/c1-27-17(26)13-12(23)7-11(22-5-4-20-16(25)14(13)22)15(24)21-10-3-2-8(18)6-9(10)19/h2-3,6,11H,4-5,7H2,1H3,(H,20,25)(H,21,24)/t11-/m1/s1
InChIKeyZBRQFRZXAZZWBA-LLVKDONJSA-N
XLogP1.13
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate with MolForge

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Related Compounds

methyl 6-[(3-methylphenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate
CID 4899625
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142439377
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690499
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate?
The IUPAC name of methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate (CID 7680594) is methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate.
What is the SMILES notation for methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate?
The canonical SMILES for methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate is COC(=O)C1=C2C(=O)NCCN2[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate?
The InChIKey is ZBRQFRZXAZZWBA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15Cl2N3O5/c1-27-17(26)13-12(23)7-11(22-5-4-20-16(25)14(13)22)15(24)21-10-3-2-8(18)6-9(10)19/h2-3,6,11H,4-5,7H2,1H3,(H,20,25)(H,21,24)/t11-/m1/s1.
What are the key properties of methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate?
methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate has a molecular weight of 412.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-[(2,4-dichlorophenyl)carbamoyl]-1,8-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-a]pyrazine-9-carboxylate is sourced from PubChem (CID 7680594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).