quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate

C25H24N2O2 — CID 124518744

IUPACquinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate
SMILESO=C(Oc1ccc2ncccc2c1)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H24N2O2/c28-25(29-20-12-13-23-19(15-20)9-6-14-26-23)22-17-27(16-18-7-2-1-3-8-18)24-11-5-4-10-21(22)24/h4-6,9-15,17-18H,1-3,7-8,16H2
InChIKeyHFJHOGXZMSKPMS-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.99
Rot. Bonds4

About quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate

quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate (PubChem CID 124518744) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate.

Molecular Properties

Compound Namequinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate
PubChem CID124518744
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Namequinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate
SMILESO=C(Oc1ccc2ncccc2c1)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H24N2O2/c28-25(29-20-12-13-23-19(15-20)9-6-14-26-23)22-17-27(16-18-7-2-1-3-8-18)24-11-5-4-10-21(22)24/h4-6,9-15,17-18H,1-3,7-8,16H2
InChIKeyHFJHOGXZMSKPMS-UHFFFAOYSA-N
XLogP5.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
quinolin-8-yl 1-(cyclohexylmethyl)-5-fluoroindole-3-carboxylate
CID 102128081
[1-(2-morpholin-4-ylethyl)indol-3-yl]-quinolin-6-ylmethanone
CID 10452672
methyl 1-quinolin-6-ylindole-3-carboxylate
CID 68969653
6-bromo-1-[1-(cyclohexylmethyl)indol-3-yl]hexan-1-one
CID 54439030
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-quinolin-3-ylpropanamide
CID 162460048
1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
CID 158417064
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
[1-[(4-cyclohexylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 177244844
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 167312296
methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate
CID 172654676
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
CID 132988665

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
The IUPAC name of quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate (CID 124518744) is quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate.
What is the SMILES notation for quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
The canonical SMILES for quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate is O=C(Oc1ccc2ncccc2c1)c1cn(CC2CCCCC2)c2ccccc12.
What is the InChIKey of quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
The InChIKey is HFJHOGXZMSKPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-25(29-20-12-13-23-19(15-20)9-6-14-26-23)22-17-27(16-18-7-2-1-3-8-18)24-11-5-4-10-21(22)24/h4-6,9-15,17-18H,1-3,7-8,16H2.
What are the key properties of quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl 1-(cyclohexylmethyl)indole-3-carboxylate is sourced from PubChem (CID 124518744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).