6-bromo-2-methyl-1,8a-dihydroquinoline

C10H10BrN — CID 145491535

IUPAC6-bromo-2-methyl-1,8a-dihydroquinoline
SMILESCC1=CC=C2C=C(Br)C=CC2N1
InChIInChI=1S/C10H10BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6,10,12H,1H3
InChIKeyOKSGJXNPAHXCGT-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.64
Rot. Bonds

About 6-bromo-2-methyl-1,8a-dihydroquinoline

6-bromo-2-methyl-1,8a-dihydroquinoline (PubChem CID 145491535) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 6-bromo-2-methyl-1,8a-dihydroquinoline.

Molecular Properties

Compound Name6-bromo-2-methyl-1,8a-dihydroquinoline
PubChem CID145491535
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name6-bromo-2-methyl-1,8a-dihydroquinoline
SMILESCC1=CC=C2C=C(Br)C=CC2N1
InChIInChI=1S/C10H10BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6,10,12H,1H3
InChIKeyOKSGJXNPAHXCGT-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-1,8a-dihydroquinolin-2-ol
CID 118861842
6-bromo-2-methyl-3a,7a-dihydro-1H-indole
CID 112713949
6-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 163524834
5-bromo-1,8a-dihydrocyclohepta[b]pyrrole
CID 143421690
3-(4-bromocyclohexa-2,4-dien-1-yl)-2-methyl-1,2-dihydropyrrol-5-one
CID 143515008
2,3-dimethyl-7-azabicyclo[2.2.1]hepta-2,5-diene
CID 163860680
4-bromo-2-methyl-3a,7a-dihydro-1H-indole
CID 112713951
6-methyl-1,8a-dihydroquinoxaline
CID 145493768
7-bromo-4aH-quinazolin-4-one
CID 71304026
3,6-dimethyl-1,2-dihydropyridazine;ethane
CID 145342354
2,7-dimethyl-10b,10c-dihydropyrene
CID 58880753
3-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-one
CID 123458953

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1,8a-dihydroquinoline?
The IUPAC name of 6-bromo-2-methyl-1,8a-dihydroquinoline (CID 145491535) is 6-bromo-2-methyl-1,8a-dihydroquinoline.
What is the SMILES notation for 6-bromo-2-methyl-1,8a-dihydroquinoline?
The canonical SMILES for 6-bromo-2-methyl-1,8a-dihydroquinoline is CC1=CC=C2C=C(Br)C=CC2N1.
What is the InChIKey of 6-bromo-2-methyl-1,8a-dihydroquinoline?
The InChIKey is OKSGJXNPAHXCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6,10,12H,1H3.
What are the key properties of 6-bromo-2-methyl-1,8a-dihydroquinoline?
6-bromo-2-methyl-1,8a-dihydroquinoline has a molecular weight of 224.10 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-1,8a-dihydroquinoline is sourced from PubChem (CID 145491535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).