N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine

C18H20ClN5 — CID 18549055

IUPACN-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc2ccc(Cl)cc2nc1-c1ccccn1
InChIInChI=1S/C18H20ClN5/c1-24(2)11-5-10-21-18-17(15-6-3-4-9-20-15)22-16-12-13(19)7-8-14(16)23-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,23)
InChIKeyCALIZINPRFKXBG-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.71
Rot. Bonds6

About N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 18549055) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID18549055
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC NameN-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc2ccc(Cl)cc2nc1-c1ccccn1
InChIInChI=1S/C18H20ClN5/c1-24(2)11-5-10-21-18-17(15-6-3-4-9-20-15)22-16-12-13(19)7-8-14(16)23-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,23)
InChIKeyCALIZINPRFKXBG-UHFFFAOYSA-N
XLogP3.71
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 18549062
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine
CID 67640185
2,6-dichloro-3-pyridin-2-ylquinoxaline
CID 556140
N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 6405736
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 91938180
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402520
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 18549055) is N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc2ccc(Cl)cc2nc1-c1ccccn1.
What is the InChIKey of N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is CALIZINPRFKXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-24(2)11-5-10-21-18-17(15-6-3-4-9-20-15)22-16-12-13(19)7-8-14(16)23-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 341.85 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 18549055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).