2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone

C21H21BrN2O — CID 67902968

IUPAC2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CC=Cc2cccc(N3CCCC3)c21
InChIInChI=1S/C21H21BrN2O/c22-18-10-8-16(9-11-18)15-20(25)24-14-4-6-17-5-3-7-19(21(17)24)23-12-1-2-13-23/h3-11H,1-2,12-15H2
InChIKeyFZCPEQBHMQHZGK-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone

2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone (PubChem CID 67902968) has the molecular formula C21H21BrN2O and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone
PubChem CID67902968
Molecular FormulaC21H21BrN2O
Molecular Weight397.32 g/mol
Exact Mass396.08
IUPAC Name2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CC=Cc2cccc(N3CCCC3)c21
InChIInChI=1S/C21H21BrN2O/c22-18-10-8-16(9-11-18)15-20(25)24-14-4-6-17-5-3-7-19(21(17)24)23-12-1-2-13-23/h3-11H,1-2,12-15H2
InChIKeyFZCPEQBHMQHZGK-UHFFFAOYSA-N
XLogP4.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone (CID 67902968) is 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone is O=C(Cc1ccc(Br)cc1)N1CC=Cc2cccc(N3CCCC3)c21.
What is the InChIKey of 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone?
The InChIKey is FZCPEQBHMQHZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O/c22-18-10-8-16(9-11-18)15-20(25)24-14-4-6-17-5-3-7-19(21(17)24)23-12-1-2-13-23/h3-11H,1-2,12-15H2.
What are the key properties of 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone?
2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone has a molecular weight of 397.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 67902968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).