2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C22H24N4O — CID 126928835

IUPAC2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)c2ccccc2n1
InChIInChI=1S/C22H24N4O/c1-15-10-21(18-7-3-5-9-20(18)23-15)25-12-16(13-25)14-26-22(27)11-17-6-2-4-8-19(17)24-26/h3,5,7,9-11,16H,2,4,6,8,12-14H2,1H3
InChIKeyLIAUYZLUESMQTH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.12
Rot. Bonds3

About 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928835) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928835
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)c2ccccc2n1
InChIInChI=1S/C22H24N4O/c1-15-10-21(18-7-3-5-9-20(18)23-15)25-12-16(13-25)14-26-22(27)11-17-6-2-4-8-19(17)24-26/h3,5,7,9-11,16H,2,4,6,8,12-14H2,1H3
InChIKeyLIAUYZLUESMQTH-UHFFFAOYSA-N
XLogP3.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

3-methyl-2-[3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidin-1-yl]quinazolin-4-one
CID 126928906
2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928678
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928383
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928240
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924815
2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928146
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928620
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928835) is 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1cc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)c2ccccc2n1.
What is the InChIKey of 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is LIAUYZLUESMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-10-21(18-7-3-5-9-20(18)23-15)25-12-16(13-25)14-26-22(27)11-17-6-2-4-8-19(17)24-26/h3,5,7,9-11,16H,2,4,6,8,12-14H2,1H3.
What are the key properties of 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 360.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).