3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile

C29H31N5O — CID 142006372

IUPAC3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile
SMILESCOc1ccc2ncccc2c1N1CCN(C2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)CC1
InChIInChI=1S/C29H31N5O/c1-35-28-11-10-26-23(3-2-12-31-26)29(28)34-15-13-33(14-16-34)22-7-5-21(6-8-22)25-19-32-27-9-4-20(18-30)17-24(25)27/h2-4,9-12,17,19,21-22,32H,5-8,13-16H2,1H3
InChIKeyPFRWPZZKSUIGLD-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.44
Rot. Bonds4

About 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile

3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile (PubChem CID 142006372) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile
PubChem CID142006372
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC Name3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile
SMILESCOc1ccc2ncccc2c1N1CCN(C2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)CC1
InChIInChI=1S/C29H31N5O/c1-35-28-11-10-26-23(3-2-12-31-26)29(28)34-15-13-33(14-16-34)22-7-5-21(6-8-22)25-19-32-27-9-4-20(18-30)17-24(25)27/h2-4,9-12,17,19,21-22,32H,5-8,13-16H2,1H3
InChIKeyPFRWPZZKSUIGLD-UHFFFAOYSA-N
XLogP5.44
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile with MolForge

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Related Compounds

3-[4-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-1H-indole-5-carbonitrile
CID 10200109
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165845
3-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]cyclohexyl]-1H-indole-5-carbonitrile
CID 11418191
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
ethane;8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 142006380
3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10109123
3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile
CID 10263646
5-methoxy-3-[3-(4-phenylpiperazin-1-yl)cyclopentyl]-1H-indole
CID 25166033
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 134036774
3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10134202
2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165455

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile (CID 142006372) is 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile is COc1ccc2ncccc2c1N1CCN(C2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)CC1.
What is the InChIKey of 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile?
The InChIKey is PFRWPZZKSUIGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-35-28-11-10-26-23(3-2-12-31-26)29(28)34-15-13-33(14-16-34)22-7-5-21(6-8-22)25-19-32-27-9-4-20(18-30)17-24(25)27/h2-4,9-12,17,19,21-22,32H,5-8,13-16H2,1H3.
What are the key properties of 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile?
3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile has a molecular weight of 465.60 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 142006372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).