N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide

C19H18N2O3 — CID 3435975

IUPACN-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1C(NC(C)=O)c1ccc2cccnc2c1O
InChIInChI=1S/C19H18N2O3/c1-12(22)21-18(14-7-3-4-8-16(14)24-2)15-10-9-13-6-5-11-20-17(13)19(15)23/h3-11,18,23H,1-2H3,(H,21,22)
InChIKeyOUDPFEBQRAEMGP-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.17
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide

N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide (PubChem CID 3435975) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide
PubChem CID3435975
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1C(NC(C)=O)c1ccc2cccnc2c1O
InChIInChI=1S/C19H18N2O3/c1-12(22)21-18(14-7-3-4-8-16(14)24-2)15-10-9-13-6-5-11-20-17(13)19(15)23/h3-11,18,23H,1-2H3,(H,21,22)
InChIKeyOUDPFEBQRAEMGP-UHFFFAOYSA-N
XLogP3.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide (CID 3435975) is N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide is COc1ccccc1C(NC(C)=O)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide?
The InChIKey is OUDPFEBQRAEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(22)21-18(14-7-3-4-8-16(14)24-2)15-10-9-13-6-5-11-20-17(13)19(15)23/h3-11,18,23H,1-2H3,(H,21,22).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide?
N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3435975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).