N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride

C28H31ClN4O4S — CID 44532769

IUPACN-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCCN1CCOCC1)c1ccc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C28H30N4O4S.ClH/c33-37(34,30-14-4-16-32-17-19-35-20-18-32)25-11-12-27-26(21-25)28(13-15-29-27)31-22-7-9-24(10-8-22)36-23-5-2-1-3-6-23;/h1-3,5-13,15,21,30H,4,14,16-20H2,(H,29,31);1H
InChIKeyRZAVTSSUNMQIDL-UHFFFAOYSA-N
MW555.10 g/mol
LogP5.19
Rot. Bonds10

About N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride (PubChem CID 44532769) has the molecular formula C28H31ClN4O4S and a molecular weight of 555.10 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride
PubChem CID44532769
Molecular FormulaC28H31ClN4O4S
Molecular Weight555.10 g/mol
Exact Mass554.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCCN1CCOCC1)c1ccc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C28H30N4O4S.ClH/c33-37(34,30-14-4-16-32-17-19-35-20-18-32)25-11-12-27-26(21-25)28(13-15-29-27)31-22-7-9-24(10-8-22)36-23-5-2-1-3-6-23;/h1-3,5-13,15,21,30H,4,14,16-20H2,(H,29,31);1H
InChIKeyRZAVTSSUNMQIDL-UHFFFAOYSA-N
XLogP5.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.10
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-8-piperazin-1-yl-4-quinolin-8-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 20765664
N-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinolin-4-amine
CID 10067161
Quinoline-3-sulfonic acid (4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-amide
CID 44307378
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 44544672
4-[[6-(4-Carbamimidoylphenoxy)-5-(quinolin-8-ylsulfonylamino)-2-pyridinyl]oxy]benzenecarboximidamide
CID 49820501
N-[3-fluoro-4-[6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 67071376
N-(3-chloro-4-phenylmethoxyphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 118364950
N-(3-chloro-4-phenylmethoxyphenyl)-7-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 118364956
4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 5298343
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
CID 2053792
N-(4-Methoxyphenyl)-1-(quinolin-8-ylsulfonyl)piperidine-4-carboxamide
CID 5308966
N-(4-ethoxyphenyl)-6-methoxy-3-tosylquinolin-4-amine
CID 16010948

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride (CID 44532769) is N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride is Cl.O=S(=O)(NCCCN1CCOCC1)c1ccc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride?
The InChIKey is RZAVTSSUNMQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S.ClH/c33-37(34,30-14-4-16-32-17-19-35-20-18-32)25-11-12-27-26(21-25)28(13-15-29-27)31-22-7-9-24(10-8-22)36-23-5-2-1-3-6-23;/h1-3,5-13,15,21,30H,4,14,16-20H2,(H,29,31);1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride has a molecular weight of 555.10 g/mol, XLogP of 5.19, 10 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)-4-(4-phenoxyanilino)quinoline-6-sulfonamide;hydrochloride is sourced from PubChem (CID 44532769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).