6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline

C18H17BrN2O3 — CID 130406838

IUPAC6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2cc1Cc1ccnc(OC)c1OC
InChIInChI=1S/C18H17BrN2O3/c1-22-16-11(6-7-20-18(16)24-3)8-13-9-12-10-14(19)4-5-15(12)21-17(13)23-2/h4-7,9-10H,8H2,1-3H3
InChIKeyAQUMSZCWOCBRJQ-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.01
Rot. Bonds5

About 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline

6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline (PubChem CID 130406838) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline.

Molecular Properties

Compound Name6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline
PubChem CID130406838
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2cc1Cc1ccnc(OC)c1OC
InChIInChI=1S/C18H17BrN2O3/c1-22-16-11(6-7-20-18(16)24-3)8-13-9-12-10-14(19)4-5-15(12)21-17(13)23-2/h4-7,9-10H,8H2,1-3H3
InChIKeyAQUMSZCWOCBRJQ-UHFFFAOYSA-N
XLogP4.01
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline with MolForge

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Related Compounds

7-bromo-1-methoxyisoquinoline
CID 67491611
6-bromo-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methoxyquinoline
CID 130427440
3-(bromomethyl)-2-methoxy-6-methylquinoline
CID 123300243
3-benzyl-2-methoxyquinolin-6-amine
CID 89382681
1-(6-bromo-2-methoxyquinolin-3-yl)-1-(2,3-dimethoxy-4-pyridinyl)-4-(dimethylamino)-2-[2-methoxy-6-(trifluoromethoxy)-4-pyridinyl]butan-2-ol
CID 146336494
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(2-naphthalen-1-ylphenyl)butan-2-ol
CID 90998990
3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
CID 59766854
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(6,7-dihydro-1-benzofuran-2-yl)-1-(2,3-dimethoxy-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 164981020
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
6-bromo-2-methoxy-3-(4-nitrophenyl)quinoline
CID 171566035
3-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyquinoline
CID 166457860
6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
CID 118022089

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline?
The IUPAC name of 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline (CID 130406838) is 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline.
What is the SMILES notation for 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline?
The canonical SMILES for 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline is COc1nc2ccc(Br)cc2cc1Cc1ccnc(OC)c1OC.
What is the InChIKey of 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline?
The InChIKey is AQUMSZCWOCBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-22-16-11(6-7-20-18(16)24-3)8-13-9-12-10-14(19)4-5-15(12)21-17(13)23-2/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline?
6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline has a molecular weight of 389.25 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2,3-dimethoxy-4-pyridinyl)methyl]-2-methoxyquinoline is sourced from PubChem (CID 130406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).