N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide

C24H29N3O2S — CID 16907075

IUPACN-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN1CCCc2cc(C(CNS(=O)(=O)c3cccc4ccccc34)N(C)C)ccc21
InChIInChI=1S/C24H29N3O2S/c1-26(2)23(20-13-14-22-19(16-20)10-7-15-27(22)3)17-25-30(28,29)24-12-6-9-18-8-4-5-11-21(18)24/h4-6,8-9,11-14,16,23,25H,7,10,15,17H2,1-3H3
InChIKeyYHADBJLEJJKGFP-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide

N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 16907075) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID16907075
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN1CCCc2cc(C(CNS(=O)(=O)c3cccc4ccccc34)N(C)C)ccc21
InChIInChI=1S/C24H29N3O2S/c1-26(2)23(20-13-14-22-19(16-20)10-7-15-27(22)3)17-25-30(28,29)24-12-6-9-18-8-4-5-11-21(18)24/h4-6,8-9,11-14,16,23,25H,7,10,15,17H2,1-3H3
InChIKeyYHADBJLEJJKGFP-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 30578797
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 16907069
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40828862
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 51444985
4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 40828857
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16802064
3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 16907157
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582403
2-fluoro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578677
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]naphthalene-1-sulfonamide
CID 7498156
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 16907404
2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828642

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide (CID 16907075) is N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide is CN1CCCc2cc(C(CNS(=O)(=O)c3cccc4ccccc34)N(C)C)ccc21.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is YHADBJLEJJKGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-26(2)23(20-13-14-22-19(16-20)10-7-15-27(22)3)17-25-30(28,29)24-12-6-9-18-8-4-5-11-21(18)24/h4-6,8-9,11-14,16,23,25H,7,10,15,17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide?
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 423.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 16907075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).