7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline

C12H16BrN — CID 130489570

IUPAC7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
SMILESCc1c(Br)ccc2c1NCCC2(C)C
InChIInChI=1S/C12H16BrN/c1-8-10(13)5-4-9-11(8)14-7-6-12(9,2)3/h4-5,14H,6-7H2,1-3H3
InChIKeyPURURHAXHKZBFG-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.85
Rot. Bonds

About 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline

7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline (PubChem CID 130489570) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
PubChem CID130489570
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline
SMILESCc1c(Br)ccc2c1NCCC2(C)C
InChIInChI=1S/C12H16BrN/c1-8-10(13)5-4-9-11(8)14-7-6-12(9,2)3/h4-5,14H,6-7H2,1-3H3
InChIKeyPURURHAXHKZBFG-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
CID 10752520
(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
CID 130649300
6-bromo-7-methyl-1,3-dihydroindol-2-one
CID 53404463
9-bromo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84729232
3-(4-bromo-2,3-dimethylphenyl)azetidin-3-amine
CID 166608633
6-bromo-7-methyl-1,2-dihydroindol-3-one
CID 126547890
8-bromo-4,4-difluoro-2,3-dihydro-1H-quinoline
CID 84728812
6,9-dibromo-7-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,5-benzoxazepine
CID 113422628
4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline
CID 170570820
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 82008492
7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 135343188

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline (CID 130489570) is 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline is Cc1c(Br)ccc2c1NCCC2(C)C.
What is the InChIKey of 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is PURURHAXHKZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-10(13)5-4-9-11(8)14-7-6-12(9,2)3/h4-5,14H,6-7H2,1-3H3.
What are the key properties of 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline?
7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 254.17 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,4,8-trimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 130489570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).