1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide

C33H33N5O4 — CID 58624315

IUPAC1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide
SMILESO=C(CCCCCC(C(=O)Nc1cccc2c1N=CCC2)(C(=O)Nc1cccc2cccnc12)c1ccccc1)NO
InChIInChI=1S/C33H33N5O4/c39-28(38-42)19-5-2-6-20-33(25-15-3-1-4-16-25,31(40)36-26-17-7-11-23-13-9-21-34-29(23)26)32(41)37-27-18-8-12-24-14-10-22-35-30(24)27/h1,3-4,7-9,11-13,15-18,21-22,42H,2,5-6,10,14,19-20H2,(H,36,40)(H,37,41)(H,38,39)
InChIKeyCRVXQTSAVJVQEN-UHFFFAOYSA-N
MW563.66 g/mol
LogP5.85
Rot. Bonds11

About 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide

1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide (PubChem CID 58624315) has the molecular formula C33H33N5O4 and a molecular weight of 563.66 g/mol. Its IUPAC name is 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide
PubChem CID58624315
Molecular FormulaC33H33N5O4
Molecular Weight563.66 g/mol
Exact Mass563.25
IUPAC Name1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide
SMILESO=C(CCCCCC(C(=O)Nc1cccc2c1N=CCC2)(C(=O)Nc1cccc2cccnc12)c1ccccc1)NO
InChIInChI=1S/C33H33N5O4/c39-28(38-42)19-5-2-6-20-33(25-15-3-1-4-16-25,31(40)36-26-17-7-11-23-13-9-21-34-29(23)26)32(41)37-27-18-8-12-24-14-10-22-35-30(24)27/h1,3-4,7-9,11-13,15-18,21-22,42H,2,5-6,10,14,19-20H2,(H,36,40)(H,37,41)(H,38,39)
InChIKeyCRVXQTSAVJVQEN-UHFFFAOYSA-N
XLogP5.85
TPSA132.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
CID 102129340
N-quinolin-8-ylundecanamide
CID 3567928
N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide
CID 54674804
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2-[4-[[7-(hydroxyamino)-2,2-dimethyl-7-oxoheptyl]carbamoyl]phenyl]-N,N'-di(quinolin-8-yl)propanediamide
CID 123640053
2,2-dibutyl-N-pyridin-2-yl-N'-quinolin-8-ylpropanediamide
CID 10093491
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
CID 15164362
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide?
The IUPAC name of 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide (CID 58624315) is 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide.
What is the SMILES notation for 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide?
The canonical SMILES for 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide is O=C(CCCCCC(C(=O)Nc1cccc2c1N=CCC2)(C(=O)Nc1cccc2cccnc12)c1ccccc1)NO.
What is the InChIKey of 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide?
The InChIKey is CRVXQTSAVJVQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O4/c39-28(38-42)19-5-2-6-20-33(25-15-3-1-4-16-25,31(40)36-26-17-7-11-23-13-9-21-34-29(23)26)32(41)37-27-18-8-12-24-14-10-22-35-30(24)27/h1,3-4,7-9,11-13,15-18,21-22,42H,2,5-6,10,14,19-20H2,(H,36,40)(H,37,41)(H,38,39).
What are the key properties of 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide?
1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide has a molecular weight of 563.66 g/mol, XLogP of 5.85, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydroquinolin-8-yl)-6-N-hydroxy-1-phenyl-1-N-quinolin-8-ylhexane-1,1,6-tricarboxamide is sourced from PubChem (CID 58624315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).