cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone

C19H22N4O3 — CID 133366889

IUPACcyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C19H22N4O3/c24-19(13-3-1-2-4-13)22-10-9-15(12-22)20-18-8-5-14-11-16(23(25)26)6-7-17(14)21-18/h5-8,11,13,15H,1-4,9-10,12H2,(H,20,21)
InChIKeyWFLLTJFPMPGNGV-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.35
Rot. Bonds4

About cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 133366889) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID133366889
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namecyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C19H22N4O3/c24-19(13-3-1-2-4-13)22-10-9-15(12-22)20-18-8-5-14-11-16(23(25)26)6-7-17(14)21-18/h5-8,11,13,15H,1-4,9-10,12H2,(H,20,21)
InChIKeyWFLLTJFPMPGNGV-UHFFFAOYSA-N
XLogP3.35
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366907
[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119890597
cyclopentyl-[3-(2,6-dichloro-4-nitroanilino)pyrrolidin-1-yl]methanone
CID 133492676
3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133366780
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
3-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]-5-nitrobenzoic acid
CID 120550986
N-(1-benzylsulfonylpiperidin-4-yl)-6-nitroquinolin-2-amine
CID 133306596
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methanone
CID 119890627
N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
CID 133473708

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone (CID 133366889) is cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1.
What is the InChIKey of cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is WFLLTJFPMPGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-19(13-3-1-2-4-13)22-10-9-15(12-22)20-18-8-5-14-11-16(23(25)26)6-7-17(14)21-18/h5-8,11,13,15H,1-4,9-10,12H2,(H,20,21).
What are the key properties of cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133366889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).