quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate

C25H24N2O2 — CID 71711120

IUPACquinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2
InChIKeyRHYGTJXOHOGQGI-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.99
Rot. Bonds4

About quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate

quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate (PubChem CID 71711120) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate
PubChem CID71711120
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Namequinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2
InChIKeyRHYGTJXOHOGQGI-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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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
The IUPAC name of quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate (CID 71711120) is quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate.
What is the SMILES notation for quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
The canonical SMILES for quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate is O=C(Oc1cccc2cccnc12)c1cn(CC2CCCCC2)c2ccccc12.
What is the InChIKey of quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
The InChIKey is RHYGTJXOHOGQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2.
What are the key properties of quinolin-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate?
quinolin-8-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-8-yl 1-(cyclohexylmethyl)indole-3-carboxylate is sourced from PubChem (CID 71711120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).