N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide

C19H17ClN2O3 — CID 2922086

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C19H17ClN2O3/c1-11(23)22-17(12-5-7-13(25-2)8-6-12)15-10-16(20)14-4-3-9-21-18(14)19(15)24/h3-10,17,24H,1-2H3,(H,22,23)
InChIKeyMTDGALZWYHDFPI-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.83
Rot. Bonds4

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide (PubChem CID 2922086) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide
PubChem CID2922086
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C19H17ClN2O3/c1-11(23)22-17(12-5-7-13(25-2)8-6-12)15-10-16(20)14-4-3-9-21-18(14)19(15)24/h3-10,17,24H,1-2H3,(H,22,23)
InChIKeyMTDGALZWYHDFPI-UHFFFAOYSA-N
XLogP3.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.83
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-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide (CID 2922086) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide is COc1ccc(C(NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is MTDGALZWYHDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11(23)22-17(12-5-7-13(25-2)8-6-12)15-10-16(20)14-4-3-9-21-18(14)19(15)24/h3-10,17,24H,1-2H3,(H,22,23).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2922086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).