10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline

C14H18BrN — CID 57127290

IUPAC10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
SMILESCN1CCCC2c3c(Br)cccc3CCC21
InChIInChI=1S/C14H18BrN/c1-16-9-3-5-11-13(16)8-7-10-4-2-6-12(15)14(10)11/h2,4,6,11,13H,3,5,7-9H2,1H3
InChIKeyFIRIKSBZRLWWTD-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.57
Rot. Bonds

About 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline

10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline (PubChem CID 57127290) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline.

Molecular Properties

Compound Name10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
PubChem CID57127290
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
SMILESCN1CCCC2c3c(Br)cccc3CCC21
InChIInChI=1S/C14H18BrN/c1-16-9-3-5-11-13(16)8-7-10-4-2-6-12(15)14(10)11/h2,4,6,11,13H,3,5,7-9H2,1H3
InChIKeyFIRIKSBZRLWWTD-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

Benzo(f)quinoline, 1,2,3,4,4a,5,6,10b-octahydro-4-methyl-, trans-
CID 121360
(3aR,9bS)-3-Allyl-9-bromo-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10424408
(3aR,9bS)-9-Bromo-3-(3-methyl-but-2-enyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 9973280
(3aR,9bS)-9-Bromo-3-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10061422
(3aR,9bS)-9-Bromo-3-butyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10086570
(3aR,9bS)-9-Bromo-3-(3-fluoro-propyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10335665
(3aR,9bS)-9-Bromo-3-cyclopropylmethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10357784
(3aR,9bS)-9-Bromo-3-ethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10423762
(3aR,9bS)-9-Bromo-3-but-3-enyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10425232
Nox2 inhibitor CPP11G
CID 118718026
(2S,4S)-4-(2-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729235
(2R,4R)-4-(2-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729237

Frequently Asked Questions

What is the IUPAC name of 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
The IUPAC name of 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline (CID 57127290) is 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline.
What is the SMILES notation for 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
The canonical SMILES for 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline is CN1CCCC2c3c(Br)cccc3CCC21.
What is the InChIKey of 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
The InChIKey is FIRIKSBZRLWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-16-9-3-5-11-13(16)8-7-10-4-2-6-12(15)14(10)11/h2,4,6,11,13H,3,5,7-9H2,1H3.
What are the key properties of 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline?
10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline has a molecular weight of 280.21 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline is sourced from PubChem (CID 57127290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).