N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide

C25H35N3O3S — CID 162660429

IUPACN-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)N1CCCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C25H35N3O3S/c1-25(2,3)22-9-7-20(8-10-22)19-26(4)32(29,30)28-13-5-6-21-18-23(11-12-24(21)28)27-14-16-31-17-15-27/h7-12,18H,5-6,13-17,19H2,1-4H3
InChIKeyACRBPCHRUCFRSY-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide

N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 162660429) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID162660429
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)N1CCCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C25H35N3O3S/c1-25(2,3)22-9-7-20(8-10-22)19-26(4)32(29,30)28-13-5-6-21-18-23(11-12-24(21)28)27-14-16-31-17-15-27/h7-12,18H,5-6,13-17,19H2,1-4H3
InChIKeyACRBPCHRUCFRSY-UHFFFAOYSA-N
XLogP3.95
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 162660429) is N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide is CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)N1CCCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is ACRBPCHRUCFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-25(2,3)22-9-7-20(8-10-22)19-26(4)32(29,30)28-13-5-6-21-18-23(11-12-24(21)28)27-14-16-31-17-15-27/h7-12,18H,5-6,13-17,19H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide?
N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 457.64 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 162660429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).