2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide

C26H22Cl2N2O2 — CID 3229764

IUPAC2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3ccccc3Cl)c(Cl)nc2c1
InChIInChI=1S/C26H22Cl2N2O2/c1-17-6-5-7-18(12-17)15-30(26(31)22-8-3-4-9-23(22)27)16-20-13-19-10-11-21(32-2)14-24(19)29-25(20)28/h3-14H,15-16H2,1-2H3
InChIKeyXZUXDVAELPQAMK-UHFFFAOYSA-N
MW465.38 g/mol
LogP6.70
Rot. Bonds6

About 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide

2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 3229764) has the molecular formula C26H22Cl2N2O2 and a molecular weight of 465.38 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID3229764
Molecular FormulaC26H22Cl2N2O2
Molecular Weight465.38 g/mol
Exact Mass464.11
IUPAC Name2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3ccccc3Cl)c(Cl)nc2c1
InChIInChI=1S/C26H22Cl2N2O2/c1-17-6-5-7-18(12-17)15-30(26(31)22-8-3-4-9-23(22)27)16-20-13-19-10-11-21(32-2)14-24(19)29-25(20)28/h3-14H,15-16H2,1-2H3
InChIKeyXZUXDVAELPQAMK-UHFFFAOYSA-N
XLogP6.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-2-fluoro-N-[(3-methylphenyl)methyl]benzamide
CID 3229754
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697
2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459108
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193877
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567018
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 1457697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide (CID 3229764) is 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide is COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3ccccc3Cl)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is XZUXDVAELPQAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2/c1-17-6-5-7-18(12-17)15-30(26(31)22-8-3-4-9-23(22)27)16-20-13-19-10-11-21(32-2)14-24(19)29-25(20)28/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 465.38 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 3229764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).