4-chloro-2-ethyl-6,7-dimethoxyquinoline

C13H14ClNO2 — CID 43668679

IUPAC4-chloro-2-ethyl-6,7-dimethoxyquinoline
SMILESCCc1cc(Cl)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C13H14ClNO2/c1-4-8-5-10(14)9-6-12(16-2)13(17-3)7-11(9)15-8/h5-7H,4H2,1-3H3
InChIKeyHATHPRXQSHTFJY-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-2-ethyl-6,7-dimethoxyquinoline

4-chloro-2-ethyl-6,7-dimethoxyquinoline (PubChem CID 43668679) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-6,7-dimethoxyquinoline
PubChem CID43668679
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name4-chloro-2-ethyl-6,7-dimethoxyquinoline
SMILESCCc1cc(Cl)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C13H14ClNO2/c1-4-8-5-10(14)9-6-12(16-2)13(17-3)7-11(9)15-8/h5-7H,4H2,1-3H3
InChIKeyHATHPRXQSHTFJY-UHFFFAOYSA-N
XLogP3.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
4-chloro-2-ethyl-5,6,7-trimethoxyquinoline
CID 43668765
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
N,2-diethyl-6,7-dimethoxyquinolin-4-amine
CID 55045702
2-bromo-4-chloro-6,7-dimethoxyquinoline
CID 139329626
4-chloro-6,7-dimethoxyquinolin-2-amine
CID 141028770
4-chloro-2-ethyl-6,8-dimethoxyquinoline
CID 43668808
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668416
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417
7-bromo-2,4-dichloro-6-methoxyquinoline
CID 171506609
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6,7-dimethoxyquinoline?
The IUPAC name of 4-chloro-2-ethyl-6,7-dimethoxyquinoline (CID 43668679) is 4-chloro-2-ethyl-6,7-dimethoxyquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-6,7-dimethoxyquinoline?
The canonical SMILES for 4-chloro-2-ethyl-6,7-dimethoxyquinoline is CCc1cc(Cl)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 4-chloro-2-ethyl-6,7-dimethoxyquinoline?
The InChIKey is HATHPRXQSHTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-4-8-5-10(14)9-6-12(16-2)13(17-3)7-11(9)15-8/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6,7-dimethoxyquinoline?
4-chloro-2-ethyl-6,7-dimethoxyquinoline has a molecular weight of 251.71 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6,7-dimethoxyquinoline is sourced from PubChem (CID 43668679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).