5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate

C23H27NO2 — CID 90831153

IUPAC5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)c1ccc(C2CC2C(=O)OC2CCCc3cccnc32)cc1
InChIInChI=1S/C23H27NO2/c1-23(2,3)17-11-9-15(10-12-17)18-14-19(18)22(25)26-20-8-4-6-16-7-5-13-24-21(16)20/h5,7,9-13,18-20H,4,6,8,14H2,1-3H3
InChIKeyDYCXDTGKJSZJOP-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.10
Rot. Bonds3

About 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate

5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate (PubChem CID 90831153) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
PubChem CID90831153
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)c1ccc(C2CC2C(=O)OC2CCCc3cccnc32)cc1
InChIInChI=1S/C23H27NO2/c1-23(2,3)17-11-9-15(10-12-17)18-14-19(18)22(25)26-20-8-4-6-16-7-5-13-24-21(16)20/h5,7,9-13,18-20H,4,6,8,14H2,1-3H3
InChIKeyDYCXDTGKJSZJOP-UHFFFAOYSA-N
XLogP5.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate (CID 90831153) is 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate is CC(C)(C)c1ccc(C2CC2C(=O)OC2CCCc3cccnc32)cc1.
What is the InChIKey of 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
The InChIKey is DYCXDTGKJSZJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-23(2,3)17-11-9-15(10-12-17)18-14-19(18)22(25)26-20-8-4-6-16-7-5-13-24-21(16)20/h5,7,9-13,18-20H,4,6,8,14H2,1-3H3.
What are the key properties of 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinolin-8-yl 2-(4-tert-butylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90831153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).