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

C19H28N4O2 — CID 126928814

IUPAC2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCN1CCCCC(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)C1=O
InChIInChI=1S/C19H28N4O2/c1-21-9-5-4-8-17(19(21)25)22-11-14(12-22)13-23-18(24)10-15-6-2-3-7-16(15)20-23/h10,14,17H,2-9,11-13H2,1H3
InChIKeyFKRSGGPLXNZLAD-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.06
Rot. Bonds3

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

2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928814) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928814
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCN1CCCCC(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)C1=O
InChIInChI=1S/C19H28N4O2/c1-21-9-5-4-8-17(19(21)25)22-11-14(12-22)13-23-18(24)10-15-6-2-3-7-16(15)20-23/h10,14,17H,2-9,11-13H2,1H3
InChIKeyFKRSGGPLXNZLAD-UHFFFAOYSA-N
XLogP1.06
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(1-methyl-2-oxoazepan-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864999
2-[[1-(1-methyl-2-oxopyrrolidin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929165
2-[2-[4-(1-methyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915071
2-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863008
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864997
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928373
2-[[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864870
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
CID 126928517
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(oxolan-2-ylmethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928830

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928814) is 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is CN1CCCCC(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)C1=O.
What is the InChIKey of 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FKRSGGPLXNZLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-9-5-4-8-17(19(21)25)22-11-14(12-22)13-23-18(24)10-15-6-2-3-7-16(15)20-23/h10,14,17H,2-9,11-13H2,1H3.
What are the key properties of 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 344.46 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).