4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one

C19H20N2O2 — CID 139004422

IUPAC4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1c[nH]c(=O)c2ccccc12)N1CC2(CCC2)C1C1CC1
InChIInChI=1S/C19H20N2O2/c22-17-14-5-2-1-4-13(14)15(10-20-17)18(23)21-11-19(8-3-9-19)16(21)12-6-7-12/h1-2,4-5,10,12,16H,3,6-9,11H2,(H,20,22)
InChIKeyQXQPAQNXONDTND-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.93
Rot. Bonds2

About 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one

4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one (PubChem CID 139004422) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one
PubChem CID139004422
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1c[nH]c(=O)c2ccccc12)N1CC2(CCC2)C1C1CC1
InChIInChI=1S/C19H20N2O2/c22-17-14-5-2-1-4-13(14)15(10-20-17)18(23)21-11-19(8-3-9-19)16(21)12-6-7-12/h1-2,4-5,10,12,16H,3,6-9,11H2,(H,20,22)
InChIKeyQXQPAQNXONDTND-UHFFFAOYSA-N
XLogP2.93
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-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

4-[(1S,5R)-3-acetyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-2H-isoquinolin-1-one
CID 74234424
(3R)-3-ethyl-1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 97154063
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065
(1R,5R)-N,N-dimethyl-6-(1-oxo-2H-isoquinoline-4-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72918973
4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide
CID 139004419
2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 138000821
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 71827968
4-[(4aS,7aR)-1-ethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-2H-isoquinolin-1-one
CID 133121834
3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
CID 128658185
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
N-[(4-fluorophenyl)methyl]-2-[1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 166376867
3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
CID 128668051

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one?
The IUPAC name of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one (CID 139004422) is 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one?
The canonical SMILES for 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one is O=C(c1c[nH]c(=O)c2ccccc12)N1CC2(CCC2)C1C1CC1.
What is the InChIKey of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one?
The InChIKey is QXQPAQNXONDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-17-14-5-2-1-4-13(14)15(10-20-17)18(23)21-11-19(8-3-9-19)16(21)12-6-7-12/h1-2,4-5,10,12,16H,3,6-9,11H2,(H,20,22).
What are the key properties of 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one?
4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one has a molecular weight of 308.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 139004422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).