ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate

C27H22N2O2 — CID 11429665

IUPACethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C27H22N2O2/c1-3-31-27(30)23-18(2)29(20-14-8-5-9-15-20)26-21-16-10-11-17-22(21)28-25(24(23)26)19-12-6-4-7-13-19/h4-17H,3H2,1-2H3
InChIKeyUGTDFIBJUNTSRJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.33
Rot. Bonds4

About ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate

ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate (PubChem CID 11429665) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate
PubChem CID11429665
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Nameethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C27H22N2O2/c1-3-31-27(30)23-18(2)29(20-14-8-5-9-15-20)26-21-16-10-11-17-22(21)28-25(24(23)26)19-12-6-4-7-13-19/h4-17H,3H2,1-2H3
InChIKeyUGTDFIBJUNTSRJ-UHFFFAOYSA-N
XLogP6.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate (CID 11429665) is ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(-c1ccccc1)nc1ccccc12.
What is the InChIKey of ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate?
The InChIKey is UGTDFIBJUNTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-3-31-27(30)23-18(2)29(20-14-8-5-9-15-20)26-21-16-10-11-17-22(21)28-25(24(23)26)19-12-6-4-7-13-19/h4-17H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate?
ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1,4-diphenylpyrrolo[3,2-c]quinoline-3-carboxylate is sourced from PubChem (CID 11429665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).