[4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone

C22H30N4O3 — CID 135106162

IUPAC[4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OC)c2c(C)cc(NC3CCN(C(=O)N4CCCC4)CC3)nc12
InChIInChI=1S/C22H30N4O3/c1-15-14-19(24-21-18(29-3)7-6-17(28-2)20(15)21)23-16-8-12-26(13-9-16)22(27)25-10-4-5-11-25/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,23,24)
InChIKeyVBGVLKYTWKMAIL-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.65
Rot. Bonds4

About [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135106162) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID135106162
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OC)c2c(C)cc(NC3CCN(C(=O)N4CCCC4)CC3)nc12
InChIInChI=1S/C22H30N4O3/c1-15-14-19(24-21-18(29-3)7-6-17(28-2)20(15)21)23-16-8-12-26(13-9-16)22(27)25-10-4-5-11-25/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,23,24)
InChIKeyVBGVLKYTWKMAIL-UHFFFAOYSA-N
XLogP3.65
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

N-cyclopropyl-5,8-dimethoxy-4-methylquinolin-2-amine
CID 31274915
3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 5298372
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
CID 144970638
cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
[4-[(1-chloroisoquinolin-3-yl)amino]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 133307989
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
1-[4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]piperidin-1-yl]ethanone
CID 95813797

Frequently Asked Questions

What is the IUPAC name of [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 135106162) is [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone is COc1ccc(OC)c2c(C)cc(NC3CCN(C(=O)N4CCCC4)CC3)nc12.
What is the InChIKey of [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VBGVLKYTWKMAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-14-19(24-21-18(29-3)7-6-17(28-2)20(15)21)23-16-8-12-26(13-9-16)22(27)25-10-4-5-11-25/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,23,24).
What are the key properties of [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 398.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,8-dimethoxy-4-methylquinolin-2-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).