4,6-dibromo-10-methylpyrido[3,2-g]quinoline

C13H8Br2N2 — CID 102458232

IUPAC4,6-dibromo-10-methylpyrido[3,2-g]quinoline
SMILESCc1c2nccc(Br)c2cc2c(Br)ccnc12
InChIInChI=1S/C13H8Br2N2/c1-7-12-8(10(14)2-4-16-12)6-9-11(15)3-5-17-13(7)9/h2-6H,1H3
InChIKeyHYLVUGXEJXMQBI-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.62
Rot. Bonds

About 4,6-dibromo-10-methylpyrido[3,2-g]quinoline

4,6-dibromo-10-methylpyrido[3,2-g]quinoline (PubChem CID 102458232) has the molecular formula C13H8Br2N2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 4,6-dibromo-10-methylpyrido[3,2-g]quinoline.

Molecular Properties

Compound Name4,6-dibromo-10-methylpyrido[3,2-g]quinoline
PubChem CID102458232
Molecular FormulaC13H8Br2N2
Molecular Weight352.03 g/mol
Exact Mass349.91
IUPAC Name4,6-dibromo-10-methylpyrido[3,2-g]quinoline
SMILESCc1c2nccc(Br)c2cc2c(Br)ccnc12
InChIInChI=1S/C13H8Br2N2/c1-7-12-8(10(14)2-4-16-12)6-9-11(15)3-5-17-13(7)9/h2-6H,1H3
InChIKeyHYLVUGXEJXMQBI-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-8-fluoro-6-methylquinoline
CID 114764008
4-bromo-8-methyl-1,7-naphthyridine
CID 103416470
4,8-dibromo-1,6-naphthyridine
CID 12520140
4-bromo-2-fluoro-3-methylpyridine
CID 22888280
4-bromo-2-iodo-3-methylpyridine
CID 118817621
4,6-dibromo-5-chloro-8-methylquinoline
CID 164661313
4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline
CID 118870226
4-bromo-7,8-dichloroquinoline
CID 39346133
4-bromo-2-fluoro-3-methylpyridine;ethane
CID 143380357
4,5,8-tribromoquinoline
CID 114764035
4-bromo-6-methylsulfonylquinoline
CID 131700001
5-bromo-7-methylquinoxaline
CID 45117463

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-10-methylpyrido[3,2-g]quinoline?
The IUPAC name of 4,6-dibromo-10-methylpyrido[3,2-g]quinoline (CID 102458232) is 4,6-dibromo-10-methylpyrido[3,2-g]quinoline.
What is the SMILES notation for 4,6-dibromo-10-methylpyrido[3,2-g]quinoline?
The canonical SMILES for 4,6-dibromo-10-methylpyrido[3,2-g]quinoline is Cc1c2nccc(Br)c2cc2c(Br)ccnc12.
What is the InChIKey of 4,6-dibromo-10-methylpyrido[3,2-g]quinoline?
The InChIKey is HYLVUGXEJXMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2/c1-7-12-8(10(14)2-4-16-12)6-9-11(15)3-5-17-13(7)9/h2-6H,1H3.
What are the key properties of 4,6-dibromo-10-methylpyrido[3,2-g]quinoline?
4,6-dibromo-10-methylpyrido[3,2-g]quinoline has a molecular weight of 352.03 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-10-methylpyrido[3,2-g]quinoline is sourced from PubChem (CID 102458232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).