3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine

C16H23N3O — CID 79240798

IUPAC3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C16H23N3O/c1-12-8-13(9-19(2)10-14(17)11-20-3)15-6-4-5-7-16(15)18-12/h4-8,14H,9-11,17H2,1-3H3
InChIKeySLNDGXRJXJRRFU-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds6

About 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine (PubChem CID 79240798) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
PubChem CID79240798
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C16H23N3O/c1-12-8-13(9-19(2)10-14(17)11-20-3)15-6-4-5-7-16(15)18-12/h4-8,14H,9-11,17H2,1-3H3
InChIKeySLNDGXRJXJRRFU-UHFFFAOYSA-N
XLogP1.95
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine (CID 79240798) is 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine is COCC(N)CN(C)Cc1cc(C)nc2ccccc12.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine?
The InChIKey is SLNDGXRJXJRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-8-13(9-19(2)10-14(17)11-20-3)15-6-4-5-7-16(15)18-12/h4-8,14H,9-11,17H2,1-3H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 79240798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).