6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one

C21H22N4O2 — CID 126939070

IUPAC6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1NCc1ccnc2ccccc12
InChIInChI=1S/C21H22N4O2/c26-21-8-7-17(14-5-6-14)24-25(21)20-13-27-12-19(20)23-11-15-9-10-22-18-4-2-1-3-16(15)18/h1-4,7-10,14,19-20,23H,5-6,11-13H2
InChIKeyBMUZTNWFMPRKGC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.40
Rot. Bonds5

About 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one

6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126939070) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126939070
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1NCc1ccnc2ccccc12
InChIInChI=1S/C21H22N4O2/c26-21-8-7-17(14-5-6-14)24-25(21)20-13-27-12-19(20)23-11-15-9-10-22-18-4-2-1-3-16(15)18/h1-4,7-10,14,19-20,23H,5-6,11-13H2
InChIKeyBMUZTNWFMPRKGC-UHFFFAOYSA-N
XLogP2.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939029
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094
2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one
CID 126939019
6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939073
6-cyclopropyl-2-[4-[(6-cyclopropylpyridazin-3-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939045
6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
CID 126939021
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
2-[4-(isoquinolin-1-ylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940480
1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 115619138
2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938880
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one (CID 126939070) is 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1NCc1ccnc2ccccc12.
What is the InChIKey of 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is BMUZTNWFMPRKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21-8-7-17(14-5-6-14)24-25(21)20-13-27-12-19(20)23-11-15-9-10-22-18-4-2-1-3-16(15)18/h1-4,7-10,14,19-20,23H,5-6,11-13H2.
What are the key properties of 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 362.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).