N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide

C27H33N5O4S — CID 42751769

IUPACN-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1N1CCCC1
InChIInChI=1S/C27H33N5O4S/c33-27(29-12-5-13-31-16-18-36-19-17-31)23-20-22(9-10-24(23)32-14-1-2-15-32)30-37(34,35)25-8-3-6-21-7-4-11-28-26(21)25/h3-4,6-11,20,30H,1-2,5,12-19H2,(H,29,33)
InChIKeyFKBPLHSWXSIUGW-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.09
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide

N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 42751769) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID42751769
Molecular FormulaC27H33N5O4S
Molecular Weight523.66 g/mol
Exact Mass523.23
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1N1CCCC1
InChIInChI=1S/C27H33N5O4S/c33-27(29-12-5-13-31-16-18-36-19-17-31)23-20-22(9-10-24(23)32-14-1-2-15-32)30-37(34,35)25-8-3-6-21-7-4-11-28-26(21)25/h3-4,6-11,20,30H,1-2,5,12-19H2,(H,29,33)
InChIKeyFKBPLHSWXSIUGW-UHFFFAOYSA-N
XLogP3.09
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-(quinolin-8-ylsulfonylamino)benzamide
CID 42751764
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 1064388
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
N-(3-morpholin-4-ylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949073
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42751400
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42751272
5-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751472
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide (CID 42751769) is N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide is O=C(NCCCN1CCOCC1)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1N1CCCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is FKBPLHSWXSIUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S/c33-27(29-12-5-13-31-16-18-36-19-17-31)23-20-22(9-10-24(23)32-14-1-2-15-32)30-37(34,35)25-8-3-6-21-7-4-11-28-26(21)25/h3-4,6-11,20,30H,1-2,5,12-19H2,(H,29,33).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide?
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 523.66 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 42751769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).