phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine

C30H26N4O4S — CID 158719979

IUPACphenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine
SMILESNc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C15H12N2O3S.C9H8N2.C6H6O/c18-21(19,20-13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14;10-8-5-1-3-7-4-2-6-11-9(7)8;7-6-4-2-1-3-5-6/h1-11,17H;1-6H,10H2;1-5,7H
InChIKeyIJUGSSIZIVDAMQ-UHFFFAOYSA-N
MW538.63 g/mol
LogP6.18
Rot. Bonds4

About phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine

phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine (PubChem CID 158719979) has the molecular formula C30H26N4O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine.

Molecular Properties

Compound Namephenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine
PubChem CID158719979
Molecular FormulaC30H26N4O4S
Molecular Weight538.63 g/mol
Exact Mass538.17
IUPAC Namephenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine
SMILESNc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C15H12N2O3S.C9H8N2.C6H6O/c18-21(19,20-13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14;10-8-5-1-3-7-4-2-6-11-9(7)8;7-6-4-2-1-3-5-6/h1-11,17H;1-6H,10H2;1-5,7H
InChIKeyIJUGSSIZIVDAMQ-UHFFFAOYSA-N
XLogP6.18
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.63
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
4-Methyl-2-[(quinolin-8-ylamino)methyl]phenol
CID 929817
7-(Phenyl(8-quinolinylamino)methyl)-8-quinolinol
CID 256758
Bathophenanthroline disulfonic acid
CID 65368
2,3-Bis(4-hydroxyphenyl)-pyrido[3,4-b]pyrazin-8-ylamine
CID 135610077
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
3-Hydroxybenzaldehyde quinolin-8-ylhydrazone
CID 5335411
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
CID 73345796
1-(2-hydroxyphenyl)-1-ethanone N-(8-quinolinyl)hydrazone
CID 135439635
2-{(E)-[2-(quinolin-8-yl)hydrazinylidene]methyl}phenol
CID 135472365
8-Hydroxy-2-quinolinecarboxaldehyde 8-quinolylhydrazone
CID 135428109
3-(Pyridin-3-ylamino)-5-quinolin-4-ylphenol
CID 50993791

Frequently Asked Questions

What is the IUPAC name of phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine?
The IUPAC name of phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine (CID 158719979) is phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine.
What is the SMILES notation for phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine?
The canonical SMILES for phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine is Nc1cccc2cccnc12.O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine?
The InChIKey is IJUGSSIZIVDAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S.C9H8N2.C6H6O/c18-21(19,20-13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14;10-8-5-1-3-7-4-2-6-11-9(7)8;7-6-4-2-1-3-5-6/h1-11,17H;1-6H,10H2;1-5,7H.
What are the key properties of phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine?
phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine has a molecular weight of 538.63 g/mol, XLogP of 6.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phenyl N-quinolin-8-ylsulfamate;quinolin-8-amine is sourced from PubChem (CID 158719979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).