7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline

C27H27ClFNO4S — CID 123469627

IUPAC7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline
SMILESCCC1=Cc2ccc(OCc3c(F)cccc3Cl)cc2N(S(=O)(=O)c2ccc(C)c(OC)c2)C1C
InChIInChI=1S/C27H27ClFNO4S/c1-5-19-13-20-10-11-21(34-16-23-24(28)7-6-8-25(23)29)14-26(20)30(18(19)3)35(31,32)22-12-9-17(2)27(15-22)33-4/h6-15,18H,5,16H2,1-4H3
InChIKeyCSDDSUTVXYFNTL-UHFFFAOYSA-N
MW516.03 g/mol
LogP6.77
Rot. Bonds7

About 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline

7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline (PubChem CID 123469627) has the molecular formula C27H27ClFNO4S and a molecular weight of 516.03 g/mol. Its IUPAC name is 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline.

Molecular Properties

Compound Name7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline
PubChem CID123469627
Molecular FormulaC27H27ClFNO4S
Molecular Weight516.03 g/mol
Exact Mass515.13
IUPAC Name7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline
SMILESCCC1=Cc2ccc(OCc3c(F)cccc3Cl)cc2N(S(=O)(=O)c2ccc(C)c(OC)c2)C1C
InChIInChI=1S/C27H27ClFNO4S/c1-5-19-13-20-10-11-21(34-16-23-24(28)7-6-8-25(23)29)14-26(20)30(18(19)3)35(31,32)22-12-9-17(2)27(15-22)33-4/h6-15,18H,5,16H2,1-4H3
InChIKeyCSDDSUTVXYFNTL-UHFFFAOYSA-N
XLogP6.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.03
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline with MolForge

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Related Compounds

(2R)-7-[(2-chloro-6-fluorophenyl)methoxy]-3-(1-ethoxyethenyl)-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 144958651
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(1-ethoxyethenyl)-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 123668244
N-[[(2R,3S)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-1-en-2-amine
CID 144958350
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(1-ethoxyethenyl)-1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 123286736
N-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-formylphenyl]-3-methoxy-4-methylbenzenesulfonamide
CID 123193467
7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 118343214
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
4-[6-[(2-chloro-6-fluorophenyl)methoxy]-4-(3-methoxy-4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]butan-2-one
CID 123436647
methyl 3-[(3S)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-2,2-dimethylpropanoate
CID 118348715
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
(2R)-7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,4-dihydroquinolin-3-one
CID 144958293
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline?
The IUPAC name of 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline (CID 123469627) is 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline.
What is the SMILES notation for 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline?
The canonical SMILES for 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline is CCC1=Cc2ccc(OCc3c(F)cccc3Cl)cc2N(S(=O)(=O)c2ccc(C)c(OC)c2)C1C.
What is the InChIKey of 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline?
The InChIKey is CSDDSUTVXYFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFNO4S/c1-5-19-13-20-10-11-21(34-16-23-24(28)7-6-8-25(23)29)14-26(20)30(18(19)3)35(31,32)22-12-9-17(2)27(15-22)33-4/h6-15,18H,5,16H2,1-4H3.
What are the key properties of 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline?
7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline has a molecular weight of 516.03 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline is sourced from PubChem (CID 123469627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).