2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C23H26N4O2 — CID 126936115

IUPAC2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCc1cc(NC2CCC(n3nc4c(cc3=O)COCC4)CC2)nc2ccccc12
InChIInChI=1S/C23H26N4O2/c1-15-12-22(25-21-5-3-2-4-19(15)21)24-17-6-8-18(9-7-17)27-23(28)13-16-14-29-11-10-20(16)26-27/h2-5,12-13,17-18H,6-11,14H2,1H3,(H,24,25)
InChIKeyMCIUYFWLEBWSSG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.77
Rot. Bonds3

About 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936115) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126936115
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCc1cc(NC2CCC(n3nc4c(cc3=O)COCC4)CC2)nc2ccccc12
InChIInChI=1S/C23H26N4O2/c1-15-12-22(25-21-5-3-2-4-19(15)21)24-17-6-8-18(9-7-17)27-23(28)13-16-14-29-11-10-20(16)26-27/h2-5,12-13,17-18H,6-11,14H2,1H3,(H,24,25)
InChIKeyMCIUYFWLEBWSSG-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936115) is 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is Cc1cc(NC2CCC(n3nc4c(cc3=O)COCC4)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is MCIUYFWLEBWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-12-22(25-21-5-3-2-4-19(15)21)24-17-6-8-18(9-7-17)27-23(28)13-16-14-29-11-10-20(16)26-27/h2-5,12-13,17-18H,6-11,14H2,1H3,(H,24,25).
What are the key properties of 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).