7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one

C19H12Cl2N2O6S2 — CID 87164630

IUPAC7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1S(=O)(=O)CS(=O)(=O)c1cc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C19H12Cl2N2O6S2/c20-12-3-1-10-5-16(18(24)22-14(10)7-12)30(26,27)9-31(28,29)17-6-11-2-4-13(21)8-15(11)23-19(17)25/h1-8H,9H2,(H,22,24)(H,23,25)
InChIKeyAYVJJODPWVRFCB-UHFFFAOYSA-N
MW499.35 g/mol
LogP2.88
Rot. Bonds4

About 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one

7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one (PubChem CID 87164630) has the molecular formula C19H12Cl2N2O6S2 and a molecular weight of 499.35 g/mol. Its IUPAC name is 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
PubChem CID87164630
Molecular FormulaC19H12Cl2N2O6S2
Molecular Weight499.35 g/mol
Exact Mass497.95
IUPAC Name7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1S(=O)(=O)CS(=O)(=O)c1cc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C19H12Cl2N2O6S2/c20-12-3-1-10-5-16(18(24)22-14(10)7-12)30(26,27)9-31(28,29)17-6-11-2-4-13(21)8-15(11)23-19(17)25/h1-8H,9H2,(H,22,24)(H,23,25)
InChIKeyAYVJJODPWVRFCB-UHFFFAOYSA-N
XLogP2.88
TPSA134.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-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

7-chloro-3-[(E)-4-(4-methoxyphenyl)-2-oxobut-3-enyl]sulfonyl-1H-quinolin-2-one
CID 66811306
7-chloro-3-[4-(4-chloro-3-nitrophenyl)-2-oxobut-3-enyl]sulfonyl-1H-quinolin-2-one
CID 66811227
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 10945159
7-chloro-1H-1-benzazepine-2,3-dione
CID 175535204
7-chloro-3-piperidin-4-yl-1H-quinolin-2-one
CID 53427784
5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one
CID 66811587
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84633281
2-(6-chloro-1H-indol-2-yl)ethanol
CID 83674317
7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
CID 12002170
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
3-[[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-7-chloro-1H-quinolin-2-one
CID 135109757

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one (CID 87164630) is 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2cc1S(=O)(=O)CS(=O)(=O)c1cc2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one?
The InChIKey is AYVJJODPWVRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O6S2/c20-12-3-1-10-5-16(18(24)22-14(10)7-12)30(26,27)9-31(28,29)17-6-11-2-4-13(21)8-15(11)23-19(17)25/h1-8H,9H2,(H,22,24)(H,23,25).
What are the key properties of 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one?
7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one has a molecular weight of 499.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one is sourced from PubChem (CID 87164630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).