6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one

C21H22N4O2 — CID 126939094

IUPAC6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESCc1cc(NC2COCC2n2nc(C3CC3)ccc2=O)nc2ccccc12
InChIInChI=1S/C21H22N4O2/c1-13-10-20(22-17-5-3-2-4-15(13)17)23-18-11-27-12-19(18)25-21(26)9-8-16(24-25)14-6-7-14/h2-5,8-10,14,18-19H,6-7,11-12H2,1H3,(H,22,23)
InChIKeyCZXFNSXDPVVZEU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.03
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one

6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939094) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939094
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESCc1cc(NC2COCC2n2nc(C3CC3)ccc2=O)nc2ccccc12
InChIInChI=1S/C21H22N4O2/c1-13-10-20(22-17-5-3-2-4-15(13)17)23-18-11-27-12-19(18)25-21(26)9-8-16(24-25)14-6-7-14/h2-5,8-10,14,18-19H,6-7,11-12H2,1H3,(H,22,23)
InChIKeyCZXFNSXDPVVZEU-UHFFFAOYSA-N
XLogP3.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-2-[4-[(6-cyclopropylpyridazin-3-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939045
6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939070
6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939086
6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939029
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938882
2-[4-[(3-methylquinoxalin-2-yl)amino]oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940482
6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
CID 126939021
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 126938938
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939755
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936115

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one (CID 126939094) is 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one is Cc1cc(NC2COCC2n2nc(C3CC3)ccc2=O)nc2ccccc12.
What is the InChIKey of 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is CZXFNSXDPVVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-10-20(22-17-5-3-2-4-15(13)17)23-18-11-27-12-19(18)25-21(26)9-8-16(24-25)14-6-7-14/h2-5,8-10,14,18-19H,6-7,11-12H2,1H3,(H,22,23).
What are the key properties of 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 362.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).