N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide

C29H34N4O2S — CID 10164101

IUPACN-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCCN1CC(CNc2cc(C)nc3ccccc23)CCC1CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C29H34N4O2S/c1-3-33-20-22(18-30-28-17-21(2)32-27-13-7-6-12-26(27)28)15-16-24(33)19-31-36(34,35)29-14-8-10-23-9-4-5-11-25(23)29/h4-14,17,22,24,31H,3,15-16,18-20H2,1-2H3,(H,30,32)
InChIKeyCIHZPKBZYITZCA-UHFFFAOYSA-N
MW502.68 g/mol
LogP5.19
Rot. Bonds8

About N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide

N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 10164101) has the molecular formula C29H34N4O2S and a molecular weight of 502.68 g/mol. Its IUPAC name is N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide
PubChem CID10164101
Molecular FormulaC29H34N4O2S
Molecular Weight502.68 g/mol
Exact Mass502.24
IUPAC NameN-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCCN1CC(CNc2cc(C)nc3ccccc23)CCC1CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C29H34N4O2S/c1-3-33-20-22(18-30-28-17-21(2)32-27-13-7-6-12-26(27)28)15-16-24(33)19-31-36(34,35)29-14-8-10-23-9-4-5-11-25(23)29/h4-14,17,22,24,31H,3,15-16,18-20H2,1-2H3,(H,30,32)
InChIKeyCIHZPKBZYITZCA-UHFFFAOYSA-N
XLogP5.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide with MolForge

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylquinolin-4-amine
CID 60858147
7-fluoro-2-methyl-N-[(2-naphthalen-1-ylsulfonyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)methyl]quinolin-4-amine
CID 10229702
N-[[4-[[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 18511315
N-[[5-[[(4-aminoquinazolin-2-yl)amino]methyl]-1-benzylpiperidin-2-yl]methyl]benzenesulfonamide
CID 70183084
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 139925377
N-[[4-[[(4-amino-5-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 54213933
N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 139925329
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 103739535

Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide (CID 10164101) is N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide is CCN1CC(CNc2cc(C)nc3ccccc23)CCC1CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is CIHZPKBZYITZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2S/c1-3-33-20-22(18-30-28-17-21(2)32-27-13-7-6-12-26(27)28)15-16-24(33)19-31-36(34,35)29-14-8-10-23-9-4-5-11-25(23)29/h4-14,17,22,24,31H,3,15-16,18-20H2,1-2H3,(H,30,32).
What are the key properties of N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide?
N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 502.68 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-5-[[(2-methylquinolin-4-yl)amino]methyl]piperidin-2-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10164101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).