1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline

C26H21FN2O — CID 142666155

IUPAC1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc2c1nc(C)c1cc(-c3ccccc3)n(-c3ccc(F)cc3C)c12
InChIInChI=1S/C26H21FN2O/c1-16-14-19(27)12-13-22(16)29-23(18-8-5-4-6-9-18)15-21-17(2)28-25-20(26(21)29)10-7-11-24(25)30-3/h4-15H,1-3H3
InChIKeyTUZNCAITYGWQEX-UHFFFAOYSA-N
MW396.47 g/mol
LogP6.61
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline

1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline (PubChem CID 142666155) has the molecular formula C26H21FN2O and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline
PubChem CID142666155
Molecular FormulaC26H21FN2O
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc2c1nc(C)c1cc(-c3ccccc3)n(-c3ccc(F)cc3C)c12
InChIInChI=1S/C26H21FN2O/c1-16-14-19(27)12-13-22(16)29-23(18-8-5-4-6-9-18)15-21-17(2)28-25-20(26(21)29)10-7-11-24(25)30-3/h4-15H,1-3H3
InChIKeyTUZNCAITYGWQEX-UHFFFAOYSA-N
XLogP6.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexen-1-yl)-6-methoxy-4-methyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinoline
CID 177401358
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
CID 134961907
1-(2-chlorophenyl)-6-methoxy-3,4-dimethylpyrazolo[4,3-c]quinoline
CID 110173752
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
1-(4-fluorophenyl)-6-methoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 20953337
2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline
CID 46302813
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303770
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
2-ethoxy-8-methoxy-4-methylquinoline
CID 70328444
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline (CID 142666155) is 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline is COc1cccc2c1nc(C)c1cc(-c3ccccc3)n(-c3ccc(F)cc3C)c12.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline?
The InChIKey is TUZNCAITYGWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O/c1-16-14-19(27)12-13-22(16)29-23(18-8-5-4-6-9-18)15-21-17(2)28-25-20(26(21)29)10-7-11-24(25)30-3/h4-15H,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline?
1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline has a molecular weight of 396.47 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-6-methoxy-4-methyl-2-phenylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 142666155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).