N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine

C14H18Cl2N4 — CID 138503187

IUPACN-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2c(Cl)c(Cl)cc(N)c2n1
InChIInChI=1S/C14H18Cl2N4/c1-20(2)6-5-18-8-9-3-4-10-13(16)11(15)7-12(17)14(10)19-9/h3-4,7,18H,5-6,8,17H2,1-2H3
InChIKeyYKQLYELMQIKGJC-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.78
Rot. Bonds5

About N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 138503187) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID138503187
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC NameN-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2c(Cl)c(Cl)cc(N)c2n1
InChIInChI=1S/C14H18Cl2N4/c1-20(2)6-5-18-8-9-3-4-10-13(16)11(15)7-12(17)14(10)19-9/h3-4,7,18H,5-6,8,17H2,1-2H3
InChIKeyYKQLYELMQIKGJC-UHFFFAOYSA-N
XLogP2.78
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 138503187) is N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc2c(Cl)c(Cl)cc(N)c2n1.
What is the InChIKey of N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YKQLYELMQIKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-20(2)6-5-18-8-9-3-4-10-13(16)11(15)7-12(17)14(10)19-9/h3-4,7,18H,5-6,8,17H2,1-2H3.
What are the key properties of N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 313.23 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-amino-5,6-dichloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 138503187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).