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

C14H19ClN4 — CID 138503346

IUPACN-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2cc(Cl)cc(N)c2n1
InChIInChI=1S/C14H19ClN4/c1-19(2)6-5-17-9-12-4-3-10-7-11(15)8-13(16)14(10)18-12/h3-4,7-8,17H,5-6,9,16H2,1-2H3
InChIKeyBYYIZIVWAWPYMH-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.12
Rot. Bonds5

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

N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 138503346) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID138503346
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2cc(Cl)cc(N)c2n1
InChIInChI=1S/C14H19ClN4/c1-19(2)6-5-17-9-12-4-3-10-7-11(15)8-13(16)14(10)18-12/h3-4,7-8,17H,5-6,9,16H2,1-2H3
InChIKeyBYYIZIVWAWPYMH-UHFFFAOYSA-N
XLogP2.12
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.12
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-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 138503346) is N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc2cc(Cl)cc(N)c2n1.
What is the InChIKey of N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BYYIZIVWAWPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-19(2)6-5-17-9-12-4-3-10-7-11(15)8-13(16)14(10)18-12/h3-4,7-8,17H,5-6,9,16H2,1-2H3.
What are the key properties of N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 278.79 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-amino-6-chloroquinolin-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 138503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).