[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

C19H22BrN3O — CID 133366766

IUPAC[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccc3cccc(Br)c3n2)C1
InChIInChI=1S/C19H22BrN3O/c20-16-7-3-6-13-8-9-17(22-18(13)16)21-15-10-11-23(12-15)19(24)14-4-1-2-5-14/h3,6-9,14-15H,1-2,4-5,10-12H2,(H,21,22)
InChIKeyAZVRDGCREQJGFD-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.20
Rot. Bonds3

About [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone

[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 133366766) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID133366766
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccc3cccc(Br)c3n2)C1
InChIInChI=1S/C19H22BrN3O/c20-16-7-3-6-13-8-9-17(22-18(13)16)21-15-10-11-23(12-15)19(24)14-4-1-2-5-14/h3,6-9,14-15H,1-2,4-5,10-12H2,(H,21,22)
InChIKeyAZVRDGCREQJGFD-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(6-bromo-7-fluoroquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366907
3-chloro-6-[[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133366780
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
cyclopentyl-[3-[(6-nitroquinolin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133366889
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
(4S)-4-[(8-bromoquinolin-2-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 97321254
2-[(8-bromoquinolin-2-yl)amino]-N-cyclopropylacetamide
CID 71913827
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133375004
cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295

Frequently Asked Questions

What is the IUPAC name of [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone (CID 133366766) is [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC(Nc2ccc3cccc(Br)c3n2)C1.
What is the InChIKey of [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is AZVRDGCREQJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-16-7-3-6-13-8-9-17(22-18(13)16)21-15-10-11-23(12-15)19(24)14-4-1-2-5-14/h3,6-9,14-15H,1-2,4-5,10-12H2,(H,21,22).
What are the key properties of [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone?
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 388.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 133366766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).