N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide

C23H26N2O4 — CID 3129250

IUPACN-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H26N2O4/c1-4-5-8-20(26)25-21(16-10-12-18(28-2)19(14-16)29-3)17-11-9-15-7-6-13-24-22(15)23(17)27/h6-7,9-14,21,27H,4-5,8H2,1-3H3,(H,25,26)
InChIKeyVVRFQSOMYLFRRY-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.35
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide

N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide (PubChem CID 3129250) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
PubChem CID3129250
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H26N2O4/c1-4-5-8-20(26)25-21(16-10-12-18(28-2)19(14-16)29-3)17-11-9-15-7-6-13-24-22(15)23(17)27/h6-7,9-14,21,27H,4-5,8H2,1-3H3,(H,25,26)
InChIKeyVVRFQSOMYLFRRY-UHFFFAOYSA-N
XLogP4.35
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide (CID 3129250) is N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The InChIKey is VVRFQSOMYLFRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-5-8-20(26)25-21(16-10-12-18(28-2)19(14-16)29-3)17-11-9-15-7-6-13-24-22(15)23(17)27/h6-7,9-14,21,27H,4-5,8H2,1-3H3,(H,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide has a molecular weight of 394.47 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide is sourced from PubChem (CID 3129250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).