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

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Related Compounds

1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126
1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
CID 112842247
1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
CID 112820584
1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide
CID 112799090
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
CID 112767949
1-cyclohexyl-5-methoxy-2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-3-carboxamide
CID 112815425
1-cyclohexyl-5-methoxy-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 112819708
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
CID 112771381

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).