7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline

C18H21NO3S — CID 110749898

IUPAC7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)Cc1ccccc1C)CCC2
InChIInChI=1S/C18H21NO3S/c1-14-6-3-4-7-16(14)13-23(20,21)19-11-5-8-15-9-10-17(22-2)12-18(15)19/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3
InChIKeySTSHWEOAKQOXDD-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.29
Rot. Bonds4

About 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline

7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 110749898) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID110749898
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(S(=O)(=O)Cc1ccccc1C)CCC2
InChIInChI=1S/C18H21NO3S/c1-14-6-3-4-7-16(14)13-23(20,21)19-11-5-8-15-9-10-17(22-2)12-18(15)19/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3
InChIKeySTSHWEOAKQOXDD-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
CID 110714138
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
CID 43955930
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
CID 16835405
6-fluoro-1-[(2-methylphenyl)methylsulfonyl]-2,3-dihydroquinolin-4-one
CID 110635148
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
(3S)-N-(2,4-dimethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641443
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline (CID 110749898) is 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline is COc1ccc2c(c1)N(S(=O)(=O)Cc1ccccc1C)CCC2.
What is the InChIKey of 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is STSHWEOAKQOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-6-3-4-7-16(14)13-23(20,21)19-11-5-8-15-9-10-17(22-2)12-18(15)19/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3.
What are the key properties of 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 331.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110749898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).