1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline

C25H20N2O — CID 134961907

IUPAC1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc2c1ncc1cc(-c3ccccc3)n(Cc3ccccc3)c12
InChIInChI=1S/C25H20N2O/c1-28-23-14-8-13-21-24(23)26-16-20-15-22(19-11-6-3-7-12-19)27(25(20)21)17-18-9-4-2-5-10-18/h2-16H,17H2,1H3
InChIKeyZAVLBTKWXNQXQO-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.91
Rot. Bonds4

About 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline

1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline (PubChem CID 134961907) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
PubChem CID134961907
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc2c1ncc1cc(-c3ccccc3)n(Cc3ccccc3)c12
InChIInChI=1S/C25H20N2O/c1-28-23-14-8-13-21-24(23)26-16-20-15-22(19-11-6-3-7-12-19)27(25(20)21)17-18-9-4-2-5-10-18/h2-16H,17H2,1H3
InChIKeyZAVLBTKWXNQXQO-UHFFFAOYSA-N
XLogP5.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
CID 174510723
1-benzyl-7-methyl-2-phenylindole
CID 155931625
[6-methoxy-1-[(4-methoxyphenyl)methyl]-3-methylpyrrolo[3,2-c]quinolin-2-yl]-trimethylsilane
CID 15420060
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
3-benzyl-8-methoxy-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 86050242
1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20953337
1-benzyl-5,7-dimethoxy-2-phenylquinolin-4-one
CID 134913635
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
1-benzyl-2-(5-methoxy-2-pyridinyl)indole
CID 157451859
9-benzyl-8-(2-methoxyphenyl)purin-6-amine
CID 102480817
1-benzyl-5-(4-fluorophenyl)-2-(methoxymethylsulfanyl)imidazole
CID 39952603
7-benzyl-6-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine;6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
CID 160517621

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline (CID 134961907) is 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline is COc1cccc2c1ncc1cc(-c3ccccc3)n(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline?
The InChIKey is ZAVLBTKWXNQXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-28-23-14-8-13-21-24(23)26-16-20-15-22(19-11-6-3-7-12-19)27(25(20)21)17-18-9-4-2-5-10-18/h2-16H,17H2,1H3.
What are the key properties of 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline?
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline has a molecular weight of 364.45 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 134961907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).