N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide

C28H27ClN2O4 — CID 3229697

IUPACN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
SMILESCOc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccccc3C)cc2c1
InChIInChI=1S/C28H27ClN2O4/c1-18-7-5-6-8-23(18)28(32)31(16-19-9-12-25(34-3)26(13-19)35-4)17-21-14-20-15-22(33-2)10-11-24(20)30-27(21)29/h5-15H,16-17H2,1-4H3
InChIKeyFGOUMPJUZQIINJ-UHFFFAOYSA-N
MW490.99 g/mol
LogP6.07
Rot. Bonds8

About N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide

N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide (PubChem CID 3229697) has the molecular formula C28H27ClN2O4 and a molecular weight of 490.99 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
PubChem CID3229697
Molecular FormulaC28H27ClN2O4
Molecular Weight490.99 g/mol
Exact Mass490.17
IUPAC NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
SMILESCOc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccccc3C)cc2c1
InChIInChI=1S/C28H27ClN2O4/c1-18-7-5-6-8-23(18)28(32)31(16-19-9-12-25(34-3)26(13-19)35-4)17-21-14-20-15-22(33-2)10-11-24(20)30-27(21)29/h5-15H,16-17H2,1-4H3
InChIKeyFGOUMPJUZQIINJ-UHFFFAOYSA-N
XLogP6.07
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
2-chloro-N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 3229764
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1439956
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
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]cyclopropanecarboxamide
CID 43813618
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
1-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]-3,3-dimethylurea
CID 1459843
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 1457697
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide (CID 3229697) is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide is COc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)c3ccccc3C)cc2c1.
What is the InChIKey of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is FGOUMPJUZQIINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O4/c1-18-7-5-6-8-23(18)28(32)31(16-19-9-12-25(34-3)26(13-19)35-4)17-21-14-20-15-22(33-2)10-11-24(20)30-27(21)29/h5-15H,16-17H2,1-4H3.
What are the key properties of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide?
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 490.99 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 3229697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).