N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide

C27H33BrN2O4 — CID 136591414

IUPACN-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(OCc2ccc3ccc(O)c(Br)c3n2)c(OC)c1
InChIInChI=1S/C27H33BrN2O4/c1-3-4-5-6-7-8-9-25(32)29-17-19-10-15-23(24(16-19)33-2)34-18-21-13-11-20-12-14-22(31)26(28)27(20)30-21/h10-16,31H,3-9,17-18H2,1-2H3,(H,29,32)
InChIKeyDNPPDJUUUWGCON-UHFFFAOYSA-N
MW529.48 g/mol
LogP6.66
Rot. Bonds13

About N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide

N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide (PubChem CID 136591414) has the molecular formula C27H33BrN2O4 and a molecular weight of 529.48 g/mol. Its IUPAC name is N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide.

Molecular Properties

Compound NameN-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide
PubChem CID136591414
Molecular FormulaC27H33BrN2O4
Molecular Weight529.48 g/mol
Exact Mass528.16
IUPAC NameN-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(OCc2ccc3ccc(O)c(Br)c3n2)c(OC)c1
InChIInChI=1S/C27H33BrN2O4/c1-3-4-5-6-7-8-9-25(32)29-17-19-10-15-23(24(16-19)33-2)34-18-21-13-11-20-12-14-22(31)26(28)27(20)30-21/h10-16,31H,3-9,17-18H2,1-2H3,(H,29,32)
InChIKeyDNPPDJUUUWGCON-UHFFFAOYSA-N
XLogP6.66
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.48
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide with MolForge

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
[2-acetyloxy-4-[(octanoylamino)methyl]phenyl] acetate
CID 163214286
(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]tetradec-9-enamide
CID 67825156
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791036
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
CID 68817622
N-[[4-[2-hydroxy-3-(2-methylbutylamino)propoxy]-3-methoxyphenyl]methyl]nonanamide
CID 10048678

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide?
The IUPAC name of N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide (CID 136591414) is N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide.
What is the SMILES notation for N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide?
The canonical SMILES for N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(OCc2ccc3ccc(O)c(Br)c3n2)c(OC)c1.
What is the InChIKey of N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide?
The InChIKey is DNPPDJUUUWGCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33BrN2O4/c1-3-4-5-6-7-8-9-25(32)29-17-19-10-15-23(24(16-19)33-2)34-18-21-13-11-20-12-14-22(31)26(28)27(20)30-21/h10-16,31H,3-9,17-18H2,1-2H3,(H,29,32).
What are the key properties of N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide?
N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide has a molecular weight of 529.48 g/mol, XLogP of 6.66, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(8-bromo-7-hydroxyquinolin-2-yl)methoxy]-3-methoxyphenyl]methyl]nonanamide is sourced from PubChem (CID 136591414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).