1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

C21H26N4O — CID 46981873

IUPAC1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCOc1nc2cc(C)ccc2cc1CN(C)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C21H26N4O/c1-14-8-9-15-11-16(21(26-3)22-19(15)10-14)12-25(2)13-20-17-6-4-5-7-18(17)23-24-20/h8-11H,4-7,12-13H2,1-3H3,(H,23,24)
InChIKeyYIGNJVDBXFZTBQ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (PubChem CID 46981873) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
PubChem CID46981873
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCOc1nc2cc(C)ccc2cc1CN(C)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C21H26N4O/c1-14-8-9-15-11-16(21(26-3)22-19(15)10-14)12-25(2)13-20-17-6-4-5-7-18(17)23-24-20/h8-11H,4-7,12-13H2,1-3H3,(H,23,24)
InChIKeyYIGNJVDBXFZTBQ-UHFFFAOYSA-N
XLogP3.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.79
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-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (CID 46981873) is 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is COc1nc2cc(C)ccc2cc1CN(C)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The InChIKey is YIGNJVDBXFZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-8-9-15-11-16(21(26-3)22-19(15)10-14)12-25(2)13-20-17-6-4-5-7-18(17)23-24-20/h8-11H,4-7,12-13H2,1-3H3,(H,23,24).
What are the key properties of 1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine has a molecular weight of 350.47 g/mol, XLogP of 3.79, 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-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is sourced from PubChem (CID 46981873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).