[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone

C20H17BrClN3O — CID 53001765

IUPAC[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C20H17BrClN3O/c21-13-3-6-15(7-4-13)24-19-16-11-14(22)5-8-18(16)23-12-17(19)20(26)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,23,24)
InChIKeyGGGREFDAUXBOOE-UHFFFAOYSA-N
MW430.73 g/mol
LogP5.63
Rot. Bonds3

About [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone

[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53001765) has the molecular formula C20H17BrClN3O and a molecular weight of 430.73 g/mol. Its IUPAC name is [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53001765
Molecular FormulaC20H17BrClN3O
Molecular Weight430.73 g/mol
Exact Mass429.02
IUPAC Name[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C20H17BrClN3O/c21-13-3-6-15(7-4-13)24-19-16-11-14(22)5-8-18(16)23-12-17(19)20(26)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,23,24)
InChIKeyGGGREFDAUXBOOE-UHFFFAOYSA-N
XLogP5.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-chloro-4-(3,4-dichloroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53052673
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001764
[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
CID 71686404
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
6-chloro-4-[4-(4-methylpiperidin-1-yl)anilino]quinoline-3-carboxylate
CID 7453555
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone (CID 53001765) is [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GGGREFDAUXBOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O/c21-13-3-6-15(7-4-13)24-19-16-11-14(22)5-8-18(16)23-12-17(19)20(26)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,23,24).
What are the key properties of [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 430.73 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53001765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).