cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone

C20H25N3O — CID 133366806

IUPACcyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1cc(NC2CCN(C(=O)C3CCCC3)C2)c2ccccc2n1
InChIInChI=1S/C20H25N3O/c1-14-12-19(17-8-4-5-9-18(17)21-14)22-16-10-11-23(13-16)20(24)15-6-2-3-7-15/h4-5,8-9,12,15-16H,2-3,6-7,10-11,13H2,1H3,(H,21,22)
InChIKeyHULJZOOIKSXURN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.75
Rot. Bonds3

About cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 133366806) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID133366806
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Namecyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1cc(NC2CCN(C(=O)C3CCCC3)C2)c2ccccc2n1
InChIInChI=1S/C20H25N3O/c1-14-12-19(17-8-4-5-9-18(17)21-14)22-16-10-11-23(13-16)20(24)15-6-2-3-7-15/h4-5,8-9,12,15-16H,2-3,6-7,10-11,13H2,1H3,(H,21,22)
InChIKeyHULJZOOIKSXURN-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
CID 166183861
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
CID 133336114
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone (CID 133366806) is cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone is Cc1cc(NC2CCN(C(=O)C3CCCC3)C2)c2ccccc2n1.
What is the InChIKey of cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is HULJZOOIKSXURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-12-19(17-8-4-5-9-18(17)21-14)22-16-10-11-23(13-16)20(24)15-6-2-3-7-15/h4-5,8-9,12,15-16H,2-3,6-7,10-11,13H2,1H3,(H,21,22).
What are the key properties of cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133366806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).