1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine

C18H22N4O — CID 46963064

IUPAC1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
SMILESCOc1nc2cc(C)ccc2cc1CN(C)Cc1cc(C)[nH]n1
InChIInChI=1S/C18H22N4O/c1-12-5-6-14-9-15(18(23-4)19-17(14)7-12)10-22(3)11-16-8-13(2)20-21-16/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeyRWTQYBWMEBKUKO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.22
Rot. Bonds5

About 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine

1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine (PubChem CID 46963064) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
PubChem CID46963064
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
SMILESCOc1nc2cc(C)ccc2cc1CN(C)Cc1cc(C)[nH]n1
InChIInChI=1S/C18H22N4O/c1-12-5-6-14-9-15(18(23-4)19-17(14)7-12)10-22(3)11-16-8-13(2)20-21-16/h5-9H,10-11H2,1-4H3,(H,20,21)
InChIKeyRWTQYBWMEBKUKO-UHFFFAOYSA-N
XLogP3.22
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine (CID 46963064) is 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine is COc1nc2cc(C)ccc2cc1CN(C)Cc1cc(C)[nH]n1.
What is the InChIKey of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine?
The InChIKey is RWTQYBWMEBKUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-5-6-14-9-15(18(23-4)19-17(14)7-12)10-22(3)11-16-8-13(2)20-21-16/h5-9H,10-11H2,1-4H3,(H,20,21).
What are the key properties of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine?
1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 46963064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).