8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide

C53H48N10O8 — CID 159007155

IUPAC8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc2cccnc2c1O.O=C(Nc1ccc(-n2cncn2)cc1)c1ccc2cccnc2c1O.O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19N3O3.C18H13N5O2.C15H16N2O3/c24-19-17(8-3-14-2-1-9-21-18(14)19)20(25)22-15-4-6-16(7-5-15)23-10-12-26-13-11-23;24-17-15(8-3-12-2-1-9-20-16(12)17)18(25)22-13-4-6-14(7-5-13)23-11-19-10-21-23;18-14-12(4-3-10-2-1-7-16-13(10)14)15(19)17-11-5-8-20-9-6-11/h1-9,24H,10-13H2,(H,22,25);1-11,24H,(H,22,25);1-4,7,11,18H,5-6,8-9H2,(H,17,19)
InChIKeyJSBIOCOJNZVNPW-UHFFFAOYSA-N
MW953.03 g/mol
LogP7.65
Rot. Bonds8

About 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide

8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide (PubChem CID 159007155) has the molecular formula C53H48N10O8 and a molecular weight of 953.03 g/mol. Its IUPAC name is 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide
PubChem CID159007155
Molecular FormulaC53H48N10O8
Molecular Weight953.03 g/mol
Exact Mass952.37
IUPAC Name8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc2cccnc2c1O.O=C(Nc1ccc(-n2cncn2)cc1)c1ccc2cccnc2c1O.O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19N3O3.C18H13N5O2.C15H16N2O3/c24-19-17(8-3-14-2-1-9-21-18(14)19)20(25)22-15-4-6-16(7-5-15)23-10-12-26-13-11-23;24-17-15(8-3-12-2-1-9-20-16(12)17)18(25)22-13-4-6-14(7-5-13)23-11-19-10-21-23;18-14-12(4-3-10-2-1-7-16-13(10)14)15(19)17-11-5-8-20-9-6-11/h1-9,24H,10-13H2,(H,22,25);1-11,24H,(H,22,25);1-4,7,11,18H,5-6,8-9H2,(H,17,19)
InChIKeyJSBIOCOJNZVNPW-UHFFFAOYSA-N
XLogP7.65
TPSA239.07 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500953.03
LogP ≤ 57.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide
CID 174777313
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816387
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55906780
N-(9,10-dihydroanthracen-2-yl)-8-hydroxyquinoline-7-carboxamide
CID 20700238
N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 146079163
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 67293350
5-N-(2,3-dihydro-1H-inden-2-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816238

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide (CID 159007155) is 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide is O=C(NC1CCOCC1)c1ccc2cccnc2c1O.O=C(Nc1ccc(-n2cncn2)cc1)c1ccc2cccnc2c1O.O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide?
The InChIKey is JSBIOCOJNZVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.C18H13N5O2.C15H16N2O3/c24-19-17(8-3-14-2-1-9-21-18(14)19)20(25)22-15-4-6-16(7-5-15)23-10-12-26-13-11-23;24-17-15(8-3-12-2-1-9-20-16(12)17)18(25)22-13-4-6-14(7-5-13)23-11-19-10-21-23;18-14-12(4-3-10-2-1-7-16-13(10)14)15(19)17-11-5-8-20-9-6-11/h1-9,24H,10-13H2,(H,22,25);1-11,24H,(H,22,25);1-4,7,11,18H,5-6,8-9H2,(H,17,19).
What are the key properties of 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide?
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide has a molecular weight of 953.03 g/mol, XLogP of 7.65, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide;8-hydroxy-N-(oxan-4-yl)quinoline-7-carboxamide;8-hydroxy-N-[4-(1,2,4-triazol-1-yl)phenyl]quinoline-7-carboxamide is sourced from PubChem (CID 159007155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).