2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline

C20H17ClN2O — CID 132577843

IUPAC2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline
SMILESCCOc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C20H17ClN2O/c1-3-24-20-19-13(2)23(15-10-8-14(21)9-11-15)12-17(19)16-6-4-5-7-18(16)22-20/h4-12H,3H2,1-2H3
InChIKeyDEJLWUOZUZXHAN-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.54
Rot. Bonds3

About 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline

2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline (PubChem CID 132577843) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline
PubChem CID132577843
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline
SMILESCCOc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C20H17ClN2O/c1-3-24-20-19-13(2)23(15-10-8-14(21)9-11-15)12-17(19)16-6-4-5-7-18(16)22-20/h4-12H,3H2,1-2H3
InChIKeyDEJLWUOZUZXHAN-UHFFFAOYSA-N
XLogP5.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline?
The IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline (CID 132577843) is 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline is CCOc1nc2ccccc2c2cn(-c3ccc(Cl)cc3)c(C)c12.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline?
The InChIKey is DEJLWUOZUZXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-3-24-20-19-13(2)23(15-10-8-14(21)9-11-15)12-17(19)16-6-4-5-7-18(16)22-20/h4-12H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline?
2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline has a molecular weight of 336.82 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethoxy-3-methylpyrrolo[3,4-c]quinoline is sourced from PubChem (CID 132577843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).