N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide

C24H18Cl2N2O3 — CID 2259163

IUPACN-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-31-17-10-6-15(7-11-17)24(30)28-21(14-4-8-16(25)9-5-14)19-13-20(26)18-3-2-12-27-22(18)23(19)29/h2-13,21,29H,1H3,(H,28,30)/t21-/m1/s1
InChIKeyBEKCSNIMRKXEFV-OAQYLSRUSA-N
MW453.33 g/mol
LogP5.78
Rot. Bonds5

About N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide

N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide (PubChem CID 2259163) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
PubChem CID2259163
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC NameN-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-31-17-10-6-15(7-11-17)24(30)28-21(14-4-8-16(25)9-5-14)19-13-20(26)18-3-2-12-27-22(18)23(19)29/h2-13,21,29H,1H3,(H,28,30)/t21-/m1/s1
InChIKeyBEKCSNIMRKXEFV-OAQYLSRUSA-N
XLogP5.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.78
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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Related Compounds

N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-methoxybenzamide
CID 2259138
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
5-chloro-7-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)prop-2-enyl]quinolin-8-ol
CID 26366958
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
tert-butyl N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]carbamate
CID 171504697

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide (CID 2259163) is N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1.
What is the InChIKey of N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is BEKCSNIMRKXEFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-31-17-10-6-15(7-11-17)24(30)28-21(14-4-8-16(25)9-5-14)19-13-20(26)18-3-2-12-27-22(18)23(19)29/h2-13,21,29H,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 453.33 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 2259163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).