N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide

C24H27ClN2O4 — CID 3216915

IUPACN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27ClN2O4/c1-15-10-16(2)19-12-18(23(25)26-20(19)11-15)14-27(8-9-29-3)24(28)17-6-7-21(30-4)22(13-17)31-5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyFGAWTMFEPZYNIH-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.81
Rot. Bonds8

About N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide

N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 3216915) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide
PubChem CID3216915
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC NameN-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27ClN2O4/c1-15-10-16(2)19-12-18(23(25)26-20(19)11-15)14-27(8-9-29-3)24(28)17-6-7-21(30-4)22(13-17)31-5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyFGAWTMFEPZYNIH-UHFFFAOYSA-N
XLogP4.81
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.81
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-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216916
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216949
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
4-ethoxy-3-methoxy-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 52895534
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-methoxy-N-(2-methoxyethyl)benzamide
CID 63287221
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119189491

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide (CID 3216915) is N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide is COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is FGAWTMFEPZYNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-15-10-16(2)19-12-18(23(25)26-20(19)11-15)14-27(8-9-29-3)24(28)17-6-7-21(30-4)22(13-17)31-5/h6-7,10-13H,8-9,14H2,1-5H3.
What are the key properties of N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide?
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 442.94 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3216915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).