2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C22H24N4O2 — CID 126936054

IUPAC2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ccnc4ccccc34)CC1)CCOC2
InChIInChI=1S/C22H24N4O2/c27-22-13-15-14-28-12-10-19(15)25-26(22)17-7-5-16(6-8-17)24-21-9-11-23-20-4-2-1-3-18(20)21/h1-4,9,11,13,16-17H,5-8,10,12,14H2,(H,23,24)
InChIKeyXAIFHEAHZMRMBK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds3

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

2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936054) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126936054
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ccnc4ccccc34)CC1)CCOC2
InChIInChI=1S/C22H24N4O2/c27-22-13-15-14-28-12-10-19(15)25-26(22)17-7-5-16(6-8-17)24-21-9-11-23-20-4-2-1-3-18(20)21/h1-4,9,11,13,16-17H,5-8,10,12,14H2,(H,23,24)
InChIKeyXAIFHEAHZMRMBK-UHFFFAOYSA-N
XLogP3.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936115
2-[4-[(3-chloro-4-pyridinyl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936009
2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936025
2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936143
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936057
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
CID 126935985
3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile
CID 126936147
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126935996
5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile
CID 126936138
2-[4-[(1,5-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936177
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936168

Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936054) is 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3ccnc4ccccc34)CC1)CCOC2.
What is the InChIKey of 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is XAIFHEAHZMRMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22-13-15-14-28-12-10-19(15)25-26(22)17-7-5-16(6-8-17)24-21-9-11-23-20-4-2-1-3-18(20)21/h1-4,9,11,13,16-17H,5-8,10,12,14H2,(H,23,24).
What are the key properties of 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).