3-tert-butyl-2-chloro-8-ethoxyquinoline

C15H18ClNO — CID 63382066

IUPAC3-tert-butyl-2-chloro-8-ethoxyquinoline
SMILESCCOc1cccc2cc(C(C)(C)C)c(Cl)nc12
InChIInChI=1S/C15H18ClNO/c1-5-18-12-8-6-7-10-9-11(15(2,3)4)14(16)17-13(10)12/h6-9H,5H2,1-4H3
InChIKeyIKQFOQGFUJCHNO-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.58
Rot. Bonds2

About 3-tert-butyl-2-chloro-8-ethoxyquinoline

3-tert-butyl-2-chloro-8-ethoxyquinoline (PubChem CID 63382066) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-tert-butyl-2-chloro-8-ethoxyquinoline.

Molecular Properties

Compound Name3-tert-butyl-2-chloro-8-ethoxyquinoline
PubChem CID63382066
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-tert-butyl-2-chloro-8-ethoxyquinoline
SMILESCCOc1cccc2cc(C(C)(C)C)c(Cl)nc12
InChIInChI=1S/C15H18ClNO/c1-5-18-12-8-6-7-10-9-11(15(2,3)4)14(16)17-13(10)12/h6-9H,5H2,1-4H3
InChIKeyIKQFOQGFUJCHNO-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-ethoxy-3-propan-2-ylquinoline
CID 63531227
3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
CID 63382523
3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109
3,8-diethoxyquinoline
CID 45094466
8-ethoxy-3-propylquinolin-2-amine
CID 63232751
1,9-diethoxyphenazine
CID 71668489
3-tert-butyl-8-chloro-N-propylquinolin-2-amine
CID 55184386
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
N,3-diethyl-8-propoxyquinolin-2-amine
CID 63529540
3-tert-butyl-8-propan-2-ylquinolin-2-amine
CID 63382273
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-chloro-8-ethoxyquinoline?
The IUPAC name of 3-tert-butyl-2-chloro-8-ethoxyquinoline (CID 63382066) is 3-tert-butyl-2-chloro-8-ethoxyquinoline.
What is the SMILES notation for 3-tert-butyl-2-chloro-8-ethoxyquinoline?
The canonical SMILES for 3-tert-butyl-2-chloro-8-ethoxyquinoline is CCOc1cccc2cc(C(C)(C)C)c(Cl)nc12.
What is the InChIKey of 3-tert-butyl-2-chloro-8-ethoxyquinoline?
The InChIKey is IKQFOQGFUJCHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-5-18-12-8-6-7-10-9-11(15(2,3)4)14(16)17-13(10)12/h6-9H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-2-chloro-8-ethoxyquinoline?
3-tert-butyl-2-chloro-8-ethoxyquinoline has a molecular weight of 263.77 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-chloro-8-ethoxyquinoline is sourced from PubChem (CID 63382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).