6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline

C14H20ClN — CID 58331978

IUPAC6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(C(C)(C)C)cc(Cl)c21
InChIInChI=1S/C14H20ClN/c1-14(2,3)11-8-10-6-5-7-16(4)13(10)12(15)9-11/h8-9H,5-7H2,1-4H3
InChIKeySFADPEFPWFWNEX-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.02
Rot. Bonds

About 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline

6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 58331978) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID58331978
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(C(C)(C)C)cc(Cl)c21
InChIInChI=1S/C14H20ClN/c1-14(2,3)11-8-10-6-5-7-16(4)13(10)12(15)9-11/h8-9H,5-7H2,1-4H3
InChIKeySFADPEFPWFWNEX-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline (CID 58331978) is 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline is CN1CCCc2cc(C(C)(C)C)cc(Cl)c21.
What is the InChIKey of 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is SFADPEFPWFWNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-14(2,3)11-8-10-6-5-7-16(4)13(10)12(15)9-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline?
6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 237.77 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 58331978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).