1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide

C26H27N3O2 — CID 4842459

IUPAC1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cccc3ncccc13)c(C)n2C1CCCCC1
InChIInChI=1S/C26H27N3O2/c1-17-25(26(30)28-23-12-6-11-22-20(23)10-7-15-27-22)21-16-19(31-2)13-14-24(21)29(17)18-8-4-3-5-9-18/h6-7,10-16,18H,3-5,8-9H2,1-2H3,(H,28,30)
InChIKeyOKSQPEDDKTZBMG-UHFFFAOYSA-N
MW413.52 g/mol
LogP6.26
Rot. Bonds4

About 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide

1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide (PubChem CID 4842459) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
PubChem CID4842459
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cccc3ncccc13)c(C)n2C1CCCCC1
InChIInChI=1S/C26H27N3O2/c1-17-25(26(30)28-23-12-6-11-22-20(23)10-7-15-27-22)21-16-19(31-2)13-14-24(21)29(17)18-8-4-3-5-9-18/h6-7,10-16,18H,3-5,8-9H2,1-2H3,(H,28,30)
InChIKeyOKSQPEDDKTZBMG-UHFFFAOYSA-N
XLogP6.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide (CID 4842459) is 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1cccc3ncccc13)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide?
The InChIKey is OKSQPEDDKTZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-25(26(30)28-23-12-6-11-22-20(23)10-7-15-27-22)21-16-19(31-2)13-14-24(21)29(17)18-8-4-3-5-9-18/h6-7,10-16,18H,3-5,8-9H2,1-2H3,(H,28,30).
What are the key properties of 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide?
1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide is sourced from PubChem (CID 4842459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).