6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide

C24H30ClN3O3S — CID 70495263

IUPAC6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide
SMILESCc1ccc(C2CC(C)(C)c3cc(Cl)cc(C(=O)NS(C)(=O)=O)c3N2)cc1N1CCCC1
InChIInChI=1S/C24H30ClN3O3S/c1-15-7-8-16(11-21(15)28-9-5-6-10-28)20-14-24(2,3)19-13-17(25)12-18(22(19)26-20)23(29)27-32(4,30)31/h7-8,11-13,20,26H,5-6,9-10,14H2,1-4H3,(H,27,29)
InChIKeyNYORYEGKPCVQLE-UHFFFAOYSA-N
MW476.04 g/mol
LogP4.77
Rot. Bonds4

About 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide

6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide (PubChem CID 70495263) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide
PubChem CID70495263
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC Name6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide
SMILESCc1ccc(C2CC(C)(C)c3cc(Cl)cc(C(=O)NS(C)(=O)=O)c3N2)cc1N1CCCC1
InChIInChI=1S/C24H30ClN3O3S/c1-15-7-8-16(11-21(15)28-9-5-6-10-28)20-14-24(2,3)19-13-17(25)12-18(22(19)26-20)23(29)27-32(4,30)31/h7-8,11-13,20,26H,5-6,9-10,14H2,1-4H3,(H,27,29)
InChIKeyNYORYEGKPCVQLE-UHFFFAOYSA-N
XLogP4.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide?
The IUPAC name of 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide (CID 70495263) is 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide is Cc1ccc(C2CC(C)(C)c3cc(Cl)cc(C(=O)NS(C)(=O)=O)c3N2)cc1N1CCCC1.
What is the InChIKey of 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide?
The InChIKey is NYORYEGKPCVQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c1-15-7-8-16(11-21(15)28-9-5-6-10-28)20-14-24(2,3)19-13-17(25)12-18(22(19)26-20)23(29)27-32(4,30)31/h7-8,11-13,20,26H,5-6,9-10,14H2,1-4H3,(H,27,29).
What are the key properties of 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide?
6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide has a molecular weight of 476.04 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,4-dimethyl-2-(4-methyl-3-pyrrolidin-1-ylphenyl)-N-methylsulfonyl-2,3-dihydro-1H-quinoline-8-carboxamide is sourced from PubChem (CID 70495263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).