cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone

C22H29N3O3 — CID 166237055

IUPACcyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCOc1cc2nccc(NC3CCN(C(=O)C4CCCCC4)C3)c2cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-12-17-18(8-10-23-19(17)13-21(20)28-2)24-16-9-11-25(14-16)22(26)15-6-4-3-5-7-15/h8,10,12-13,15-16H,3-7,9,11,14H2,1-2H3,(H,23,24)
InChIKeyWQZLGKJRQYBFMO-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.85
Rot. Bonds5

About cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone

cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 166237055) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID166237055
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Namecyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCOc1cc2nccc(NC3CCN(C(=O)C4CCCCC4)C3)c2cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-12-17-18(8-10-23-19(17)13-21(20)28-2)24-16-9-11-25(14-16)22(26)15-6-4-3-5-7-15/h8,10,12-13,15-16H,3-7,9,11,14H2,1-2H3,(H,23,24)
InChIKeyWQZLGKJRQYBFMO-UHFFFAOYSA-N
XLogP3.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-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

cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295
[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
6,7-dimethoxy-4-[[4-(sulfinatoamino)cyclohexyl]amino]quinoline
CID 155099947
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 158306742
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
CID 11306395
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone (CID 166237055) is cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone is COc1cc2nccc(NC3CCN(C(=O)C4CCCCC4)C3)c2cc1OC.
What is the InChIKey of cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is WQZLGKJRQYBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-12-17-18(8-10-23-19(17)13-21(20)28-2)24-16-9-11-25(14-16)22(26)15-6-4-3-5-7-15/h8,10,12-13,15-16H,3-7,9,11,14H2,1-2H3,(H,23,24).
What are the key properties of cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 383.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166237055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).