4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide

C23H29N3O4S — CID 59053565

IUPAC4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide
SMILESCC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2cc(C(=O)NS(C)(=O)=O)ccc21
InChIInChI=1S/C23H29N3O4S/c1-23(2)15-21(16-5-4-6-18(13-16)26-9-11-30-12-10-26)24-20-14-17(7-8-19(20)23)22(27)25-31(3,28)29/h4-8,13-14,21,24H,9-12,15H2,1-3H3,(H,25,27)
InChIKeyCASOAJZHYVTFPZ-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.05
Rot. Bonds4

About 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide

4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide (PubChem CID 59053565) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide
PubChem CID59053565
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide
SMILESCC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2cc(C(=O)NS(C)(=O)=O)ccc21
InChIInChI=1S/C23H29N3O4S/c1-23(2)15-21(16-5-4-6-18(13-16)26-9-11-30-12-10-26)24-20-14-17(7-8-19(20)23)22(27)25-31(3,28)29/h4-8,13-14,21,24H,9-12,15H2,1-3H3,(H,25,27)
InChIKeyCASOAJZHYVTFPZ-UHFFFAOYSA-N
XLogP3.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide?
The IUPAC name of 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide (CID 59053565) is 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide is CC1(C)CC(c2cccc(N3CCOCC3)c2)Nc2cc(C(=O)NS(C)(=O)=O)ccc21.
What is the InChIKey of 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide?
The InChIKey is CASOAJZHYVTFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-23(2)15-21(16-5-4-6-18(13-16)26-9-11-30-12-10-26)24-20-14-17(7-8-19(20)23)22(27)25-31(3,28)29/h4-8,13-14,21,24H,9-12,15H2,1-3H3,(H,25,27).
What are the key properties of 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide?
4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide is sourced from PubChem (CID 59053565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).