2,3,4-trimethoxy-N-quinolin-2-ylbenzamide

C19H18N2O4 — CID 2994144

IUPAC2,3,4-trimethoxy-N-quinolin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-9-13(17(24-2)18(15)25-3)19(22)21-16-11-8-12-6-4-5-7-14(12)20-16/h4-11H,1-3H3,(H,20,21,22)
InChIKeyXCMSBNYSJVXYQM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.51
Rot. Bonds5

About 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide

2,3,4-trimethoxy-N-quinolin-2-ylbenzamide (PubChem CID 2994144) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-quinolin-2-ylbenzamide
PubChem CID2994144
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2,3,4-trimethoxy-N-quinolin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-10-9-13(17(24-2)18(15)25-3)19(22)21-16-11-8-12-6-4-5-7-14(12)20-16/h4-11H,1-3H3,(H,20,21,22)
InChIKeyXCMSBNYSJVXYQM-UHFFFAOYSA-N
XLogP3.51
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6621232
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 12005317
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
N-[6-[(3,4-dimethoxybenzoyl)amino]pyridin-2-yl]-3,4-dimethoxybenzamide
CID 1293762
2,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 6460917
(2,4-Diaminoquinazolin-6-yl)methyl 3,4,5-trimethoxybenzoate
CID 487406
(2,4-Diaminoquinazolin-6-yl)methyl 2,3,4-trimethoxybenzoate
CID 487407
N-(2-((3-Cyano-6-methylquinolin-2-yl)amino)ethyl)-3,4-dimethoxybenzamide
CID 3217032
3,4,5-triethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 15987878

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
The IUPAC name of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide (CID 2994144) is 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide is COc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
The InChIKey is XCMSBNYSJVXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-10-9-13(17(24-2)18(15)25-3)19(22)21-16-11-8-12-6-4-5-7-14(12)20-16/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide?
2,3,4-trimethoxy-N-quinolin-2-ylbenzamide has a molecular weight of 338.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 2994144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).