N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide

C19H21Br2Cl2N3 — CID 45046156

IUPACN-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
SMILESBr.Br.CN(C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc12
InChIInChI=1S/C19H19Cl2N3.2BrH/c1-24(2)10-9-22-18-12-19(15-11-13(20)7-8-16(15)21)23-17-6-4-3-5-14(17)18;;/h3-8,11-12H,9-10H2,1-2H3,(H,22,23);2*1H
InChIKeyALJNSRHLJTTYIP-UHFFFAOYSA-N
MW522.11 g/mol
LogP6.34
Rot. Bonds5

About N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide

N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide (PubChem CID 45046156) has the molecular formula C19H21Br2Cl2N3 and a molecular weight of 522.11 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
PubChem CID45046156
Molecular FormulaC19H21Br2Cl2N3
Molecular Weight522.11 g/mol
Exact Mass518.95
IUPAC NameN-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
SMILESBr.Br.CN(C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc12
InChIInChI=1S/C19H19Cl2N3.2BrH/c1-24(2)10-9-22-18-12-19(15-11-13(20)7-8-16(15)21)23-17-6-4-3-5-14(17)18;;/h3-8,11-12H,9-10H2,1-2H3,(H,22,23);2*1H
InChIKeyALJNSRHLJTTYIP-UHFFFAOYSA-N
XLogP6.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.11
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
The IUPAC name of N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide (CID 45046156) is N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide is Br.Br.CN(C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc12.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
The InChIKey is ALJNSRHLJTTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3.2BrH/c1-24(2)10-9-22-18-12-19(15-11-13(20)7-8-16(15)21)23-17-6-4-3-5-14(17)18;;/h3-8,11-12H,9-10H2,1-2H3,(H,22,23);2*1H.
What are the key properties of N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide has a molecular weight of 522.11 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide is sourced from PubChem (CID 45046156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).