N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine

C21H23BrN4 — CID 123828037

IUPACN'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCCc3cc(Br)ccc3C2)nc2ccccc12
InChIInChI=1S/C21H23BrN4/c22-17-8-7-16-14-26(11-3-4-15(16)12-17)21-13-20(24-10-9-23)18-5-1-2-6-19(18)25-21/h1-2,5-8,12-13H,3-4,9-11,14,23H2,(H,24,25)
InChIKeyZFWRRMIJWGHAEE-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.32
Rot. Bonds4

About N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine

N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine (PubChem CID 123828037) has the molecular formula C21H23BrN4 and a molecular weight of 411.35 g/mol. Its IUPAC name is N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
PubChem CID123828037
Molecular FormulaC21H23BrN4
Molecular Weight411.35 g/mol
Exact Mass410.11
IUPAC NameN'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCCc3cc(Br)ccc3C2)nc2ccccc12
InChIInChI=1S/C21H23BrN4/c22-17-8-7-16-14-26(11-3-4-15(16)12-17)21-13-20(24-10-9-23)18-5-1-2-6-19(18)25-21/h1-2,5-8,12-13H,3-4,9-11,14,23H2,(H,24,25)
InChIKeyZFWRRMIJWGHAEE-UHFFFAOYSA-N
XLogP4.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

[2-[4-(2-aminoethylamino)quinolin-2-yl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl] hydrogen carbonate
CID 118363729
N'-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71262272
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71255202
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
CID 127044051
1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol;trifluoromethyl acetate
CID 158540947
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 127043347
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 127045321
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-7-fluoro-6-methylquinolin-4-yl]ethane-1,2-diamine
CID 71255304
3-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]prop-2-enoic acid
CID 71255278
N'-[2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]propane-1,3-diamine
CID 144525497
N'-[2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-6-methylsulfanylquinolin-4-yl]propane-1,3-diamine
CID 144525307

Frequently Asked Questions

What is the IUPAC name of N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine (CID 123828037) is N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine is NCCNc1cc(N2CCCc3cc(Br)ccc3C2)nc2ccccc12.
What is the InChIKey of N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is ZFWRRMIJWGHAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4/c22-17-8-7-16-14-26(11-3-4-15(16)12-17)21-13-20(24-10-9-23)18-5-1-2-6-19(18)25-21/h1-2,5-8,12-13H,3-4,9-11,14,23H2,(H,24,25).
What are the key properties of N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 411.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 123828037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).