(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline

C19H21ClFN3O4S — CID 178012757

IUPAC(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline
SMILESCc1ccc2c(c1Oc1cc(F)ccc1Cl)N(C)C(=O)[C@H](NS(=O)(=O)N(C)C)C2
InChIInChI=1S/C19H21ClFN3O4S/c1-11-5-6-12-9-15(22-29(26,27)23(2)3)19(25)24(4)17(12)18(11)28-16-10-13(21)7-8-14(16)20/h5-8,10,15,22H,9H2,1-4H3/t15-/m1/s1
InChIKeyZRALEJMCQNSRIB-OAHLLOKOSA-N
MW441.91 g/mol
LogP2.86
Rot. Bonds5

About (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline

(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline (PubChem CID 178012757) has the molecular formula C19H21ClFN3O4S and a molecular weight of 441.91 g/mol. Its IUPAC name is (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline.

Molecular Properties

Compound Name(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline
PubChem CID178012757
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.91 g/mol
Exact Mass441.09
IUPAC Name(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline
SMILESCc1ccc2c(c1Oc1cc(F)ccc1Cl)N(C)C(=O)[C@H](NS(=O)(=O)N(C)C)C2
InChIInChI=1S/C19H21ClFN3O4S/c1-11-5-6-12-9-15(22-29(26,27)23(2)3)19(25)24(4)17(12)18(11)28-16-10-13(21)7-8-14(16)20/h5-8,10,15,22H,9H2,1-4H3/t15-/m1/s1
InChIKeyZRALEJMCQNSRIB-OAHLLOKOSA-N
XLogP2.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-8-(2-chloro-5-fluorophenoxy)-7-(1,1-difluoroethyl)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702563
(3R)-3-amino-8-(2-chloro-5-fluorophenoxy)-1-methyl-3,4-dihydroquinolin-2-one
CID 170702567
[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702571
(3R)-3-amino-8-(2-fluorophenoxy)-1-methyl-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 170702576
[(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702582
[(3R)-7-chloro-8-(2-chloro-5-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702586
(3R)-3-amino-8-(2-fluorophenoxy)-1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 170702587
(3R)-3-amino-7-fluoro-1-methyl-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-2-one
CID 170702588
[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702604
[(3R)-8-(2-chloro-5-fluorophenoxy)-7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702605
(3R)-3-amino-8-[2-(difluoromethyl)-5-fluorophenoxy]-1-methyl-3,4-dihydroquinolin-2-one
CID 170702611
[(3R)-8-(2-chloro-5-fluorophenoxy)-7-(hydroxymethyl)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702625

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline?
The IUPAC name of (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline (CID 178012757) is (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline.
What is the SMILES notation for (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline?
The canonical SMILES for (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline is Cc1ccc2c(c1Oc1cc(F)ccc1Cl)N(C)C(=O)[C@H](NS(=O)(=O)N(C)C)C2.
What is the InChIKey of (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline?
The InChIKey is ZRALEJMCQNSRIB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClFN3O4S/c1-11-5-6-12-9-15(22-29(26,27)23(2)3)19(25)24(4)17(12)18(11)28-16-10-13(21)7-8-14(16)20/h5-8,10,15,22H,9H2,1-4H3/t15-/m1/s1.
What are the key properties of (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline?
(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline has a molecular weight of 441.91 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline is sourced from PubChem (CID 178012757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).