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

C18H21NO4S — CID 110637203

IUPAC7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C)cc1)CCC2O
InChIInChI=1S/C18H21NO4S/c1-13-3-5-14(6-4-13)12-24(21,22)19-10-9-18(20)16-8-7-15(23-2)11-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3
InChIKeyOGSVQZLJGPOZGX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.78
Rot. Bonds4

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

7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637203) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637203
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C)cc1)CCC2O
InChIInChI=1S/C18H21NO4S/c1-13-3-5-14(6-4-13)12-24(21,22)19-10-9-18(20)16-8-7-15(23-2)11-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3
InChIKeyOGSVQZLJGPOZGX-UHFFFAOYSA-N
XLogP2.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol (CID 110637203) is 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol is COc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C)cc1)CCC2O.
What is the InChIKey of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is OGSVQZLJGPOZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-3-5-14(6-4-13)12-24(21,22)19-10-9-18(20)16-8-7-15(23-2)11-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3.
What are the key properties of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 347.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).