1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine

C21H33N3O — CID 3069068

IUPAC1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc2nc(C)cc(C)c2c1OC
InChIInChI=1S/C21H33N3O/c1-7-24(8-2)13-9-10-16(4)22-19-12-11-18-20(21(19)25-6)15(3)14-17(5)23-18/h11-12,14,16,22H,7-10,13H2,1-6H3
InChIKeyZZMJCYIKNNHWPG-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.78
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine (PubChem CID 3069068) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine
PubChem CID3069068
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc2nc(C)cc(C)c2c1OC
InChIInChI=1S/C21H33N3O/c1-7-24(8-2)13-9-10-16(4)22-19-12-11-18-20(21(19)25-6)15(3)14-17(5)23-18/h11-12,14,16,22H,7-10,13H2,1-6H3
InChIKeyZZMJCYIKNNHWPG-UHFFFAOYSA-N
XLogP4.78
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine (CID 3069068) is 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccc2nc(C)cc(C)c2c1OC.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine?
The InChIKey is ZZMJCYIKNNHWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-7-24(8-2)13-9-10-16(4)22-19-12-11-18-20(21(19)25-6)15(3)14-17(5)23-18/h11-12,14,16,22H,7-10,13H2,1-6H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine has a molecular weight of 343.52 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(5-methoxy-2,4-dimethylquinolin-6-yl)pentane-1,4-diamine is sourced from PubChem (CID 3069068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).