6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline

C19H16BrNO3 — CID 130427440

IUPAC6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2cc1Cc1cccc2c1OCCO2
InChIInChI=1S/C19H16BrNO3/c1-22-19-14(10-13-11-15(20)5-6-16(13)21-19)9-12-3-2-4-17-18(12)24-8-7-23-17/h2-6,10-11H,7-9H2,1H3
InChIKeyGBZSNIICNLCJNF-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.37
Rot. Bonds3

About 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline

6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline (PubChem CID 130427440) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline.

Molecular Properties

Compound Name6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline
PubChem CID130427440
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2cc1Cc1cccc2c1OCCO2
InChIInChI=1S/C19H16BrNO3/c1-22-19-14(10-13-11-15(20)5-6-16(13)21-19)9-12-3-2-4-17-18(12)24-8-7-23-17/h2-6,10-11H,7-9H2,1H3
InChIKeyGBZSNIICNLCJNF-UHFFFAOYSA-N
XLogP4.37
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline
CID 130406838
1-(6-bromo-2-methoxyquinolin-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 130427338
2,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43736621
3-benzyl-2-methoxyquinolin-6-amine
CID 89382681
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-5-yl)quinoline-4-carboxylic acid
CID 3674997
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzonitrile
CID 82693282
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(2-naphthalen-1-ylphenyl)butan-2-ol
CID 90998990
2,3-dihydro-1,4-benzodioxin-5-ylmethanamine;hydrochloride
CID 2795039
(3R,4R)-4-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-[(dimethylamino)methyl]-2,3-dihydrochromen-4-ol
CID 139186270
3-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyquinoline
CID 166457860
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760
3-(bromomethyl)-2-methoxy-6-methylquinoline
CID 123300243

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline?
The IUPAC name of 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline (CID 130427440) is 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline.
What is the SMILES notation for 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline?
The canonical SMILES for 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline is COc1nc2ccc(Br)cc2cc1Cc1cccc2c1OCCO2.
What is the InChIKey of 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline?
The InChIKey is GBZSNIICNLCJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-22-19-14(10-13-11-15(20)5-6-16(13)21-19)9-12-3-2-4-17-18(12)24-8-7-23-17/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline?
6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline has a molecular weight of 386.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline is sourced from PubChem (CID 130427440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).