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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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).