7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline

C21H31N — CID 167038022

IUPAC7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline
SMILESCCC1=c2c(C3(C)CCCC3)cc(C(C)(C)C)cc2=NCC1
InChIInChI=1S/C21H31N/c1-6-15-9-12-22-18-14-16(20(2,3)4)13-17(19(15)18)21(5)10-7-8-11-21/h13-14H,6-12H2,1-5H3
InChIKeyZGVOKZIFRXENFM-UHFFFAOYSA-N
MW297.49 g/mol
LogP4.40
Rot. Bonds2

About 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline

7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline (PubChem CID 167038022) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline.

Molecular Properties

Compound Name7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline
PubChem CID167038022
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline
SMILESCCC1=c2c(C3(C)CCCC3)cc(C(C)(C)C)cc2=NCC1
InChIInChI=1S/C21H31N/c1-6-15-9-12-22-18-14-16(20(2,3)4)13-17(19(15)18)21(5)10-7-8-11-21/h13-14H,6-12H2,1-5H3
InChIKeyZGVOKZIFRXENFM-UHFFFAOYSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline?
The IUPAC name of 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline (CID 167038022) is 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline.
What is the SMILES notation for 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline?
The canonical SMILES for 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline is CCC1=c2c(C3(C)CCCC3)cc(C(C)(C)C)cc2=NCC1.
What is the InChIKey of 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline?
The InChIKey is ZGVOKZIFRXENFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-6-15-9-12-22-18-14-16(20(2,3)4)13-17(19(15)18)21(5)10-7-8-11-21/h13-14H,6-12H2,1-5H3.
What are the key properties of 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline?
7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline has a molecular weight of 297.49 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline is sourced from PubChem (CID 167038022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).