6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline

C14H13BrClNO — CID 838422

IUPAC6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline
SMILESC/C(Cl)=C/COc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C14H13BrClNO/c1-9(16)5-6-18-14-7-10(2)17-13-4-3-11(15)8-12(13)14/h3-5,7-8H,6H2,1-2H3/b9-5-
InChIKeyLKXNJCLMVVZNJH-UITAMQMPSA-N
MW326.62 g/mol
LogP4.83
Rot. Bonds3

About 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline

6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline (PubChem CID 838422) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline
PubChem CID838422
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline
SMILESC/C(Cl)=C/COc1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C14H13BrClNO/c1-9(16)5-6-18-14-7-10(2)17-13-4-3-11(15)8-12(13)14/h3-5,7-8H,6H2,1-2H3/b9-5-
InChIKeyLKXNJCLMVVZNJH-UITAMQMPSA-N
XLogP4.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
CID 102536835
4-(3-chloroprop-2-enoxy)-2-methylquinoline
CID 165347693
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
7-bromo-4-methoxy-2-methylquinoline
CID 82581190
2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
CID 50877449
6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline
CID 110436009
6-bromo-2,3-dimethylquinoline-4-carbothioamide
CID 71390196
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 75447270
6-bromo-2-methyl-4-(3-methylphenyl)quinoline
CID 168914877
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline?
The IUPAC name of 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline (CID 838422) is 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline.
What is the SMILES notation for 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline?
The canonical SMILES for 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline is C/C(Cl)=C/COc1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline?
The InChIKey is LKXNJCLMVVZNJH-UITAMQMPSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(16)5-6-18-14-7-10(2)17-13-4-3-11(15)8-12(13)14/h3-5,7-8H,6H2,1-2H3/b9-5-.
What are the key properties of 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline?
6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline has a molecular weight of 326.62 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline is sourced from PubChem (CID 838422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).