1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile

C60H66N10 — CID 91001821

IUPAC1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile
SMILESCc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C#N)cc45)CC3)CC2)c2ncccc2c1.Cc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C#N)cc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/2C30H33N5/c2*1-21-16-24-4-3-11-32-30(24)29(17-21)35-14-12-34(13-15-35)25-8-6-23(7-9-25)27-20-33(2)28-10-5-22(19-31)18-26(27)28/h2*3-5,10-11,16-18,20,23,25H,6-9,12-15H2,1-2H3
InChIKeyRGYOCQCAEDVWDA-UHFFFAOYSA-N
MW927.26 g/mol
LogP11.51
Rot. Bonds6

About 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile

1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile (PubChem CID 91001821) has the molecular formula C60H66N10 and a molecular weight of 927.26 g/mol. Its IUPAC name is 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile
PubChem CID91001821
Molecular FormulaC60H66N10
Molecular Weight927.26 g/mol
Exact Mass926.55
IUPAC Name1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile
SMILESCc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C#N)cc45)CC3)CC2)c2ncccc2c1.Cc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C#N)cc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/2C30H33N5/c2*1-21-16-24-4-3-11-32-30(24)29(17-21)35-14-12-34(13-15-35)25-8-6-23(7-9-25)27-20-33(2)28-10-5-22(19-31)18-26(27)28/h2*3-5,10-11,16-18,20,23,25H,6-9,12-15H2,1-2H3
InChIKeyRGYOCQCAEDVWDA-UHFFFAOYSA-N
XLogP11.51
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.26
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

(R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)quinoxaline
CID 11646364
3-[4-(4-quinolin-8-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile
CID 10224961
US11168082, Cpd. No. 83
CID 142474941
3-[4-[4-(9-amino-5,6,7,8-tetrahydroacridin-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 145963146
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
(8S)-N-(3-piperazin-1-ylpropyl)-N-[[9-(pyridin-2-ylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176597
3-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]-9-octylcarbazole
CID 162659787
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
2-[2-[4-[1-[2-(7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium dichloride
CID 44276754
Cu(II)(phen-cyclam)
CID 467378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile?
The IUPAC name of 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile (CID 91001821) is 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile.
What is the SMILES notation for 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile?
The canonical SMILES for 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile is Cc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C#N)cc45)CC3)CC2)c2ncccc2c1.Cc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C#N)cc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile?
The InChIKey is RGYOCQCAEDVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H33N5/c2*1-21-16-24-4-3-11-32-30(24)29(17-21)35-14-12-34(13-15-35)25-8-6-23(7-9-25)27-20-33(2)28-10-5-22(19-31)18-26(27)28/h2*3-5,10-11,16-18,20,23,25H,6-9,12-15H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile?
1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile has a molecular weight of 927.26 g/mol, XLogP of 11.51, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[4-(6-methylquinolin-8-yl)piperazin-1-yl]cyclohexyl]indole-5-carbonitrile is sourced from PubChem (CID 91001821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).