7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one

C19H17BrClFN2O4S — CID 163560177

IUPAC7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(S(C)(=O)=O)c(O)c2cc(Cl)c(Br)c(F)c21
InChIInChI=1S/C19H17BrClFN2O4S/c1-8(2)14-15(9(3)5-6-23-14)24-16-10(7-11(21)12(20)13(16)22)17(25)18(19(24)26)29(4,27)28/h5-8,25H,1-4H3
InChIKeyFQOMWWLSILBAQT-UHFFFAOYSA-N
MW503.78 g/mol
LogP4.48
Rot. Bonds3

About 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one

7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one (PubChem CID 163560177) has the molecular formula C19H17BrClFN2O4S and a molecular weight of 503.78 g/mol. Its IUPAC name is 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one.

Molecular Properties

Compound Name7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
PubChem CID163560177
Molecular FormulaC19H17BrClFN2O4S
Molecular Weight503.78 g/mol
Exact Mass501.98
IUPAC Name7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(S(C)(=O)=O)c(O)c2cc(Cl)c(Br)c(F)c21
InChIInChI=1S/C19H17BrClFN2O4S/c1-8(2)14-15(9(3)5-6-23-14)24-16-10(7-11(21)12(20)13(16)22)17(25)18(19(24)26)29(4,27)28/h5-8,25H,1-4H3
InChIKeyFQOMWWLSILBAQT-UHFFFAOYSA-N
XLogP4.48
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 6-[7-bromo-6-chloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-2-oxoquinolin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 167318397
6-chloro-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
CID 167318327
7-(3-aminonaphthalen-1-yl)-6-chloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-4-(4-prop-2-enoylpiperazin-1-yl)quinolin-2-one
CID 167318020
6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-4-(1-prop-2-enoylpiperidin-4-yl)quinolin-2-one
CID 167318328
6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)quinolin-2-one
CID 167318039
7-(2-amino-1,3-benzothiazol-4-yl)-6-chloro-8-fluoro-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
CID 167318402
4-chloro-6-fluoro-7-(5-methyl-1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonyl-1,8-naphthyridin-2-one
CID 167318289
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
CID 154593935
6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
CID 164523585
6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-(4-propan-2-ylpiperazin-1-yl)quinazolin-2-one
CID 178000352
(4S,7R)-16-chloro-9-[2-(dimethylamino)ethyl]-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 167621318
4-chloro-6-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one
CID 166055760

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one?
The IUPAC name of 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one (CID 163560177) is 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one.
What is the SMILES notation for 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one?
The canonical SMILES for 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)c(S(C)(=O)=O)c(O)c2cc(Cl)c(Br)c(F)c21.
What is the InChIKey of 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one?
The InChIKey is FQOMWWLSILBAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN2O4S/c1-8(2)14-15(9(3)5-6-23-14)24-16-10(7-11(21)12(20)13(16)22)17(25)18(19(24)26)29(4,27)28/h5-8,25H,1-4H3.
What are the key properties of 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one?
7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one has a molecular weight of 503.78 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one is sourced from PubChem (CID 163560177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).