1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline

C15H20BrClN2 — CID 164871940

IUPAC1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline
SMILESClc1cc(Br)c2c(c1)CCCN2C1CCCNCC1
InChIInChI=1S/C15H20BrClN2/c16-14-10-12(17)9-11-3-2-8-19(15(11)14)13-4-1-6-18-7-5-13/h9-10,13,18H,1-8H2
InChIKeyOZLSSZPTFWJWEY-UHFFFAOYSA-N
MW343.70 g/mol
LogP4.00
Rot. Bonds1

About 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline

1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline (PubChem CID 164871940) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline
PubChem CID164871940
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline
SMILESClc1cc(Br)c2c(c1)CCCN2C1CCCNCC1
InChIInChI=1S/C15H20BrClN2/c16-14-10-12(17)9-11-3-2-8-19(15(11)14)13-4-1-6-18-7-5-13/h9-10,13,18H,1-8H2
InChIKeyOZLSSZPTFWJWEY-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxylate
CID 170428843
6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
CID 171525009
1-[[7-[1-[(4S)-azepan-4-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 164871518
tert-butyl (2S,4S)-4-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 170428814
(10S,15R)-7-(3,5-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
CID 10269804
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone
CID 82490299
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82490244
1-piperidin-4-yl-1,4-diazepan-2-one
CID 89310976
7-bromo-1-cyclohexyl-2,3-dihydroindole
CID 84738993
7-(2,4,6-trichlorophenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720500
1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170428880
3-bromo-5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94068311

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline (CID 164871940) is 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline is Clc1cc(Br)c2c(c1)CCCN2C1CCCNCC1.
What is the InChIKey of 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline?
The InChIKey is OZLSSZPTFWJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-14-10-12(17)9-11-3-2-8-19(15(11)14)13-4-1-6-18-7-5-13/h9-10,13,18H,1-8H2.
What are the key properties of 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline?
1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline has a molecular weight of 343.70 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-8-bromo-6-chloro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 164871940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).