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6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine

C21H25N5O — CID 171586094

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1c(-c2nnc(N[C@H]3CCCN(C)C3)cc2C)ccc2cccnc12
InChIInChI=1S/C21H25N5O/c1-14-12-18(23-16-7-5-11-26(2)13-16)24-25-19(14)17-9-8-15-6-4-10-22-20(15)21(17)27-3/h4,6,8-10,12,16H,5,7,11,13H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyUVCSQYOWOGIJBN-INIZCTEOSA-N
MW363.47 g/mol
LogP3.51
Rot. Bonds4

About 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine

6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine (PubChem CID 171586094) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
PubChem CID171586094
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
SMILESCOc1c(-c2nnc(N[C@H]3CCCN(C)C3)cc2C)ccc2cccnc12
InChIInChI=1S/C21H25N5O/c1-14-12-18(23-16-7-5-11-26(2)13-16)24-25-19(14)17-9-8-15-6-4-10-22-20(15)21(17)27-3/h4,6,8-10,12,16H,5,7,11,13H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyUVCSQYOWOGIJBN-INIZCTEOSA-N
XLogP3.51
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine (CID 171586094) is 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine is COc1c(-c2nnc(N[C@H]3CCCN(C)C3)cc2C)ccc2cccnc12.
What is the InChIKey of 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine?
The InChIKey is UVCSQYOWOGIJBN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-12-18(23-16-7-5-11-26(2)13-16)24-25-19(14)17-9-8-15-6-4-10-22-20(15)21(17)27-3/h4,6,8-10,12,16H,5,7,11,13H2,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine?
6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine has a molecular weight of 363.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 171586094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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