N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide

C36H44N4O4 — CID 23729749

IUPACN-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide
SMILESC=C(Cc1ccc2ccc(C(=O)NCCCCCC)nc2c1O)Cc1ccc2ccc(C(=O)NCCCCCC)nc2c1O
InChIInChI=1S/C36H44N4O4/c1-4-6-8-10-20-37-35(43)29-18-16-25-12-14-27(33(41)31(25)39-29)22-24(3)23-28-15-13-26-17-19-30(40-32(26)34(28)42)36(44)38-21-11-9-7-5-2/h12-19,41-42H,3-11,20-23H2,1-2H3,(H,37,43)(H,38,44)
InChIKeyYZAXGRPFJRMSNV-UHFFFAOYSA-N
MW596.77 g/mol
LogP7.16
Rot. Bonds16

About N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide

N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide (PubChem CID 23729749) has the molecular formula C36H44N4O4 and a molecular weight of 596.77 g/mol. Its IUPAC name is N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide
PubChem CID23729749
Molecular FormulaC36H44N4O4
Molecular Weight596.77 g/mol
Exact Mass596.34
IUPAC NameN-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide
SMILESC=C(Cc1ccc2ccc(C(=O)NCCCCCC)nc2c1O)Cc1ccc2ccc(C(=O)NCCCCCC)nc2c1O
InChIInChI=1S/C36H44N4O4/c1-4-6-8-10-20-37-35(43)29-18-16-25-12-14-27(33(41)31(25)39-29)22-24(3)23-28-15-13-26-17-19-30(40-32(26)34(28)42)36(44)38-21-11-9-7-5-2/h12-19,41-42H,3-11,20-23H2,1-2H3,(H,37,43)(H,38,44)
InChIKeyYZAXGRPFJRMSNV-UHFFFAOYSA-N
XLogP7.16
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 57.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide with MolForge

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Related Compounds

8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
CID 177421665
6-fluoro-N-pentylquinoline-2-carboxamide
CID 110486389
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-decyl-4-hydroxybenzamide
CID 15277871
N-hexylpyridine-4-carboxamide
CID 3423732
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064

Frequently Asked Questions

What is the IUPAC name of N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide?
The IUPAC name of N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide (CID 23729749) is N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide.
What is the SMILES notation for N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide?
The canonical SMILES for N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide is C=C(Cc1ccc2ccc(C(=O)NCCCCCC)nc2c1O)Cc1ccc2ccc(C(=O)NCCCCCC)nc2c1O.
What is the InChIKey of N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide?
The InChIKey is YZAXGRPFJRMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N4O4/c1-4-6-8-10-20-37-35(43)29-18-16-25-12-14-27(33(41)31(25)39-29)22-24(3)23-28-15-13-26-17-19-30(40-32(26)34(28)42)36(44)38-21-11-9-7-5-2/h12-19,41-42H,3-11,20-23H2,1-2H3,(H,37,43)(H,38,44).
What are the key properties of N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide?
N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide has a molecular weight of 596.77 g/mol, XLogP of 7.16, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide is sourced from PubChem (CID 23729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).