5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline

C10H11Br2N — CID 126978984

IUPAC5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2c(Br)ccc(Br)c21
InChIInChI=1S/C10H11Br2N/c1-6-4-5-13-10-8(12)3-2-7(11)9(6)10/h2-3,6,13H,4-5H2,1H3
InChIKeyPJVJLGAUTJQCCS-UHFFFAOYSA-N
MW305.01 g/mol
LogP4.13
Rot. Bonds

About 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline

5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 126978984) has the molecular formula C10H11Br2N and a molecular weight of 305.01 g/mol. Its IUPAC name is 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID126978984
Molecular FormulaC10H11Br2N
Molecular Weight305.01 g/mol
Exact Mass302.93
IUPAC Name5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2c(Br)ccc(Br)c21
InChIInChI=1S/C10H11Br2N/c1-6-4-5-13-10-8(12)3-2-7(11)9(6)10/h2-3,6,13H,4-5H2,1H3
InChIKeyPJVJLGAUTJQCCS-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-N,5-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 131213970
8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130934873
1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
CID 12051006
4-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 119095098
6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 142484636
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 82008492
8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 63272678
2-[(2S)-azetidin-2-yl]-3-bromo-6-methoxyphenol
CID 130859989
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351398

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline (CID 126978984) is 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline is CC1CCNc2c(Br)ccc(Br)c21.
What is the InChIKey of 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is PJVJLGAUTJQCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N/c1-6-4-5-13-10-8(12)3-2-7(11)9(6)10/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline?
5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 305.01 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 126978984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).