3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C17H16BrN5O — CID 133306340

IUPAC3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3ccnc4c(Br)cccc34)C2=O)cn1
InChIInChI=1S/C17H16BrN5O/c1-22-10-11(9-20-22)23-8-6-15(17(23)24)21-14-5-7-19-16-12(14)3-2-4-13(16)18/h2-5,7,9-10,15H,6,8H2,1H3,(H,19,21)
InChIKeyIYPWPNFWNCFIID-UHFFFAOYSA-N
MW386.25 g/mol
LogP2.95
Rot. Bonds3

About 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 133306340) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID133306340
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(Nc3ccnc4c(Br)cccc34)C2=O)cn1
InChIInChI=1S/C17H16BrN5O/c1-22-10-11(9-20-22)23-8-6-15(17(23)24)21-14-5-7-19-16-12(14)3-2-4-13(16)18/h2-5,7,9-10,15H,6,8H2,1H3,(H,19,21)
InChIKeyIYPWPNFWNCFIID-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133394043
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106251837
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
CID 126800928
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499

Frequently Asked Questions

What is the IUPAC name of 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 133306340) is 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2CCC(Nc3ccnc4c(Br)cccc34)C2=O)cn1.
What is the InChIKey of 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is IYPWPNFWNCFIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-22-10-11(9-20-22)23-8-6-15(17(23)24)21-14-5-7-19-16-12(14)3-2-4-13(16)18/h2-5,7,9-10,15H,6,8H2,1H3,(H,19,21).
What are the key properties of 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 386.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 133306340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).