ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate

C23H22N2O3 — CID 162407907

IUPACethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate
SMILESCCOC(=O)c1c(CC)n(Cc2ccccc2)c(=O)n2c1cc1ccccc12
InChIInChI=1S/C23H22N2O3/c1-3-18-21(22(26)28-4-2)20-14-17-12-8-9-13-19(17)25(20)23(27)24(18)15-16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3
InChIKeyUOQQXDGTVZUDKI-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.04
Rot. Bonds5

About ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate

ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate (PubChem CID 162407907) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate
PubChem CID162407907
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Nameethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate
SMILESCCOC(=O)c1c(CC)n(Cc2ccccc2)c(=O)n2c1cc1ccccc12
InChIInChI=1S/C23H22N2O3/c1-3-18-21(22(26)28-4-2)20-14-17-12-8-9-13-19(17)25(20)23(27)24(18)15-16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3
InChIKeyUOQQXDGTVZUDKI-UHFFFAOYSA-N
XLogP4.04
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate with MolForge

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Related Compounds

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ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
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diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
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ethyl 3-benzyl-2-methyl-4-oxoindeno[2,1-b]pyrrole-1-carboxylate
CID 14341438
ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate
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ethyl 1-benzoyl-4-benzyl-3-phenylpyrrolo[1,2-a]benzimidazole-2-carboxylate
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ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
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ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
ethyl 1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]indole-2-carboxylate
CID 18362058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate?
The IUPAC name of ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate (CID 162407907) is ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate?
The canonical SMILES for ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate is CCOC(=O)c1c(CC)n(Cc2ccccc2)c(=O)n2c1cc1ccccc12.
What is the InChIKey of ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate?
The InChIKey is UOQQXDGTVZUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-18-21(22(26)28-4-2)20-14-17-12-8-9-13-19(17)25(20)23(27)24(18)15-16-10-6-5-7-11-16/h5-14H,3-4,15H2,1-2H3.
What are the key properties of ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate?
ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-ethyl-1-oxopyrimido[1,6-a]indole-4-carboxylate is sourced from PubChem (CID 162407907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).