4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C17H16BrN5O — CID 166361528

IUPAC4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CC(Nc3ccnc4cc(Br)ccc34)CC2=O)cn1
InChIInChI=1S/C17H16BrN5O/c1-22-10-13(8-20-22)23-9-12(7-17(23)24)21-15-4-5-19-16-6-11(18)2-3-14(15)16/h2-6,8,10,12H,7,9H2,1H3,(H,19,21)
InChIKeyWWJRCRCKPZRZGY-UHFFFAOYSA-N
MW386.25 g/mol
LogP2.95
Rot. Bonds3

About 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 166361528) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID166361528
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CC(Nc3ccnc4cc(Br)ccc34)CC2=O)cn1
InChIInChI=1S/C17H16BrN5O/c1-22-10-13(8-20-22)23-9-12(7-17(23)24)21-15-4-5-19-16-6-11(18)2-3-14(15)16/h2-6,8,10,12H,7,9H2,1H3,(H,19,21)
InChIKeyWWJRCRCKPZRZGY-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
4-(6-bromoquinolin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336896
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 176873062
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 167957491
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 103001402

Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 166361528) is 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2CC(Nc3ccnc4cc(Br)ccc34)CC2=O)cn1.
What is the InChIKey of 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is WWJRCRCKPZRZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-22-10-13(8-20-22)23-9-12(7-17(23)24)21-15-4-5-19-16-6-11(18)2-3-14(15)16/h2-6,8,10,12H,7,9H2,1H3,(H,19,21).
What are the key properties of 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
4-[(7-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 4-[(7-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 166361528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).