1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile

C25H27N3O — CID 137367748

IUPAC1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCCN3)cn2C1CCC(O)CC1
InChIInChI=1S/C25H27N3O/c1-16-12-25-22(13-17(16)14-26)23(15-28(25)18-7-9-19(29)10-8-18)20-4-2-6-24-21(20)5-3-11-27-24/h2,4,6,12-13,15,18-19,27,29H,3,5,7-11H2,1H3
InChIKeyDAPFFOZKWMGFFK-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.32
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile

1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile (PubChem CID 137367748) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile
PubChem CID137367748
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCCN3)cn2C1CCC(O)CC1
InChIInChI=1S/C25H27N3O/c1-16-12-25-22(13-17(16)14-26)23(15-28(25)18-7-9-19(29)10-8-18)20-4-2-6-24-21(20)5-3-11-27-24/h2,4,6,12-13,15,18-19,27,29H,3,5,7-11H2,1H3
InChIKeyDAPFFOZKWMGFFK-UHFFFAOYSA-N
XLogP5.32
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile?
The IUPAC name of 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile (CID 137367748) is 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc3c1CCCN3)cn2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile?
The InChIKey is DAPFFOZKWMGFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-16-12-25-22(13-17(16)14-26)23(15-28(25)18-7-9-19(29)10-8-18)20-4-2-6-24-21(20)5-3-11-27-24/h2,4,6,12-13,15,18-19,27,29H,3,5,7-11H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile?
1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile has a molecular weight of 385.51 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)indole-5-carbonitrile is sourced from PubChem (CID 137367748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).