3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile

C28H29N5 — CID 25141218

IUPAC3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1
InChIInChI=1S/C28H29N5/c29-18-20-6-11-27-24(17-20)25(19-31-27)21-7-9-22(10-8-21)32-13-15-33(16-14-32)28-5-1-4-26-23(28)3-2-12-30-26/h1-6,11-12,17,19,21-22,31H,7-10,13-16H2
InChIKeyXSYQLENYJXPDQA-UHFFFAOYSA-N
MW435.58 g/mol
LogP5.44
Rot. Bonds3

About 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile

3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile (PubChem CID 25141218) has the molecular formula C28H29N5 and a molecular weight of 435.58 g/mol. Its IUPAC name is 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile
PubChem CID25141218
Molecular FormulaC28H29N5
Molecular Weight435.58 g/mol
Exact Mass435.24
IUPAC Name3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1
InChIInChI=1S/C28H29N5/c29-18-20-6-11-27-24(17-20)25(19-31-27)21-7-9-22(10-8-21)32-13-15-33(16-14-32)28-5-1-4-26-23(28)3-2-12-30-26/h1-6,11-12,17,19,21-22,31H,7-10,13-16H2
InChIKeyXSYQLENYJXPDQA-UHFFFAOYSA-N
XLogP5.44
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.58
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile (CID 25141218) is 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1.
What is the InChIKey of 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile?
The InChIKey is XSYQLENYJXPDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5/c29-18-20-6-11-27-24(17-20)25(19-31-27)21-7-9-22(10-8-21)32-13-15-33(16-14-32)28-5-1-4-26-23(28)3-2-12-30-26/h1-6,11-12,17,19,21-22,31H,7-10,13-16H2.
What are the key properties of 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile?
3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile has a molecular weight of 435.58 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-quinolin-5-ylpiperazin-1-yl)cyclohexyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 25141218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).