6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile

C22H24N2O — CID 143509596

IUPAC6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
SMILESCCC(CC)n1c(-c2ccc(C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H24N2O/c1-5-17(6-2)24-21-13-18(25-4)11-12-19(21)20(14-23)22(24)16-9-7-15(3)8-10-16/h7-13,17H,5-6H2,1-4H3
InChIKeyYCRLKMVDCFKWCC-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.86
Rot. Bonds5

About 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile

6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile (PubChem CID 143509596) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
PubChem CID143509596
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
SMILESCCC(CC)n1c(-c2ccc(C)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H24N2O/c1-5-17(6-2)24-21-13-18(25-4)11-12-19(21)20(14-23)22(24)16-9-7-15(3)8-10-16/h7-13,17H,5-6H2,1-4H3
InChIKeyYCRLKMVDCFKWCC-UHFFFAOYSA-N
XLogP5.86
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
CID 58694414
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 143184569
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
1-cyclobutyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 143511080
1-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 59576516
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile?
The IUPAC name of 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile (CID 143509596) is 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile.
What is the SMILES notation for 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile?
The canonical SMILES for 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile is CCC(CC)n1c(-c2ccc(C)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile?
The InChIKey is YCRLKMVDCFKWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-5-17(6-2)24-21-13-18(25-4)11-12-19(21)20(14-23)22(24)16-9-7-15(3)8-10-16/h7-13,17H,5-6H2,1-4H3.
What are the key properties of 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile?
6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile has a molecular weight of 332.45 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile is sourced from PubChem (CID 143509596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).