2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide

C24H31N3O5S — CID 53491763

IUPAC2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOc1cc(C2Nc3ccc(C(=O)NS(C)(=O)=O)cc3CC2(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C24H31N3O5S/c1-24(2)15-18-11-16(23(28)26-33(4,29)30)5-6-21(18)25-22(24)17-12-19(14-20(13-17)31-3)27-7-9-32-10-8-27/h5-6,11-14,22,25H,7-10,15H2,1-4H3,(H,26,28)
InChIKeyDDNXSXCTQYSGNX-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.96
Rot. Bonds5

About 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide

2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 53491763) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID53491763
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESCOc1cc(C2Nc3ccc(C(=O)NS(C)(=O)=O)cc3CC2(C)C)cc(N2CCOCC2)c1
InChIInChI=1S/C24H31N3O5S/c1-24(2)15-18-11-16(23(28)26-33(4,29)30)5-6-21(18)25-22(24)17-12-19(14-20(13-17)31-3)27-7-9-32-10-8-27/h5-6,11-14,22,25H,7-10,15H2,1-4H3,(H,26,28)
InChIKeyDDNXSXCTQYSGNX-UHFFFAOYSA-N
XLogP2.96
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide (CID 53491763) is 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide is COc1cc(C2Nc3ccc(C(=O)NS(C)(=O)=O)cc3CC2(C)C)cc(N2CCOCC2)c1.
What is the InChIKey of 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is DDNXSXCTQYSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-24(2)15-18-11-16(23(28)26-33(4,29)30)5-6-21(18)25-22(24)17-12-19(14-20(13-17)31-3)27-7-9-32-10-8-27/h5-6,11-14,22,25H,7-10,15H2,1-4H3,(H,26,28).
What are the key properties of 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide?
2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 53491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).