1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile

C23H27N3O3 — CID 11581954

IUPAC1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile
SMILESCOc1ccc(-c2c(C#N)n(CCCN(C)C)c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C23H27N3O3/c1-25(2)11-6-12-26-19-14-22(29-5)21(28-4)13-18(19)23(20(26)15-24)16-7-9-17(27-3)10-8-16/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyOQNIVCOOZCMYBB-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.16
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile

1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile (PubChem CID 11581954) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile
PubChem CID11581954
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile
SMILESCOc1ccc(-c2c(C#N)n(CCCN(C)C)c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C23H27N3O3/c1-25(2)11-6-12-26-19-14-22(29-5)21(28-4)13-18(19)23(20(26)15-24)16-7-9-17(27-3)10-8-16/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyOQNIVCOOZCMYBB-UHFFFAOYSA-N
XLogP4.16
TPSA59.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)ethyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid
CID 69106698
3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673291
3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 53370466
4-[2-[3-(dimethylamino)propoxy]-5-(4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile
CID 118489731
2-(3-hydroxypropyl)-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile
CID 143024278
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
2-[5,6-dimethoxy-3-(4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanol
CID 11589606
3-[3-(dimethylamino)propyl]-6,7-dimethoxy-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 21216834
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
3-[3-(dimethylamino)propyl]-1-ethyl-7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116568
9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673288

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile (CID 11581954) is 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile is COc1ccc(-c2c(C#N)n(CCCN(C)C)c3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile?
The InChIKey is OQNIVCOOZCMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-25(2)11-6-12-26-19-14-22(29-5)21(28-4)13-18(19)23(20(26)15-24)16-7-9-17(27-3)10-8-16/h7-10,13-14H,6,11-12H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile?
1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile has a molecular weight of 393.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carbonitrile is sourced from PubChem (CID 11581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).