[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

C19H21BrFN3O — CID 133366907

IUPAC[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccc3cc(Br)c(F)cc3n2)C1
InChIInChI=1S/C19H21BrFN3O/c20-15-9-13-5-6-18(23-17(13)10-16(15)21)22-14-7-8-24(11-14)19(25)12-3-1-2-4-12/h5-6,9-10,12,14H,1-4,7-8,11H2,(H,22,23)
InChIKeyHDYVZUULKNYSSD-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.34
Rot. Bonds3

About [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 133366907) has the molecular formula C19H21BrFN3O and a molecular weight of 406.30 g/mol. Its IUPAC name is [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID133366907
Molecular FormulaC19H21BrFN3O
Molecular Weight406.30 g/mol
Exact Mass405.09
IUPAC Name[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccc3cc(Br)c(F)cc3n2)C1
InChIInChI=1S/C19H21BrFN3O/c20-15-9-13-5-6-18(23-17(13)10-16(15)21)22-14-7-8-24(11-14)19(25)12-3-1-2-4-12/h5-6,9-10,12,14H,1-4,7-8,11H2,(H,22,23)
InChIKeyHDYVZUULKNYSSD-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone with MolForge

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Related Compounds

[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133366889
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133366780
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133375004
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
cyclopentyl-[3-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]pyrrolidin-1-yl]methanone
CID 133366991
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
3-[6-[[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91339194
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516

Frequently Asked Questions

What is the IUPAC name of [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (CID 133366907) is [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC(Nc2ccc3cc(Br)c(F)cc3n2)C1.
What is the InChIKey of [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is HDYVZUULKNYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O/c20-15-9-13-5-6-18(23-17(13)10-16(15)21)22-14-7-8-24(11-14)19(25)12-3-1-2-4-12/h5-6,9-10,12,14H,1-4,7-8,11H2,(H,22,23).
What are the key properties of [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 406.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 133366907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).