[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

C22H24N4O — CID 133113227

IUPAC[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3C[C@@H]4CC[C@@H]3C4)c2c1
InChIInChI=1S/C22H24N4O/c1-3-14-5-7-20-18(9-14)19(10-21(24-20)16-11-23-25(2)13-16)22(27)26-12-15-4-6-17(26)8-15/h5,7,9-11,13,15,17H,3-4,6,8,12H2,1-2H3/t15-,17-/m1/s1
InChIKeyXDKQJPDDLXMCMZ-NVXWUHKLSA-N
MW360.46 g/mol
LogP3.82
Rot. Bonds3

About [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 133113227) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID133113227
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3C[C@@H]4CC[C@@H]3C4)c2c1
InChIInChI=1S/C22H24N4O/c1-3-14-5-7-20-18(9-14)19(10-21(24-20)16-11-23-25(2)13-16)22(27)26-12-15-4-6-17(26)8-15/h5,7,9-11,13,15,17H,3-4,6,8,12H2,1-2H3/t15-,17-/m1/s1
InChIKeyXDKQJPDDLXMCMZ-NVXWUHKLSA-N
XLogP3.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone 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

(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46999816
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
CID 61072408
2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
CID 45180937
2-azabicyclo[2.2.1]heptan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 61072122
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 45207187

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone (CID 133113227) is [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone is CCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3C[C@@H]4CC[C@@H]3C4)c2c1.
What is the InChIKey of [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is XDKQJPDDLXMCMZ-NVXWUHKLSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-14-5-7-20-18(9-14)19(10-21(24-20)16-11-23-25(2)13-16)22(27)26-12-15-4-6-17(26)8-15/h5,7,9-11,13,15,17H,3-4,6,8,12H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 133113227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).