N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide

C23H18ClN3O2 — CID 10668903

IUPACN-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
SMILESNc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H18ClN3O2/c24-16-5-8-18(9-6-16)29-14-15-3-1-2-4-19(15)23(28)27-17-7-10-22-20(13-17)21(25)11-12-26-22/h1-13H,14H2,(H2,25,26)(H,27,28)
InChIKeyLGBRWRDQRLXJGW-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.30
Rot. Bonds5

About N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide

N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide (PubChem CID 10668903) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
PubChem CID10668903
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide
SMILESNc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12
InChIInChI=1S/C23H18ClN3O2/c24-16-5-8-18(9-6-16)29-14-15-3-1-2-4-19(15)23(28)27-17-7-10-22-20(13-17)21(25)11-12-26-22/h1-13H,14H2,(H2,25,26)(H,27,28)
InChIKeyLGBRWRDQRLXJGW-UHFFFAOYSA-N
XLogP5.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide (CID 10668903) is N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide is Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12.
What is the InChIKey of N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide?
The InChIKey is LGBRWRDQRLXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-16-5-8-18(9-6-16)29-14-15-3-1-2-4-19(15)23(28)27-17-7-10-22-20(13-17)21(25)11-12-26-22/h1-13H,14H2,(H2,25,26)(H,27,28).
What are the key properties of N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide?
N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminoquinolin-6-yl)-2-[(4-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 10668903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).