3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide

C19H18N2O3 — CID 2996969

IUPAC3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3nc(C)ccc23)cc1OC
InChIInChI=1S/C19H18N2O3/c1-12-7-9-14-15(20-12)5-4-6-16(14)21-19(22)13-8-10-17(23-2)18(11-13)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyFCJJZCFBOWTIAA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.81
Rot. Bonds4

About 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide

3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide (PubChem CID 2996969) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
PubChem CID2996969
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3nc(C)ccc23)cc1OC
InChIInChI=1S/C19H18N2O3/c1-12-7-9-14-15(20-12)5-4-6-16(14)21-19(22)13-8-10-17(23-2)18(11-13)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyFCJJZCFBOWTIAA-UHFFFAOYSA-N
XLogP3.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
3,4-dimethyl-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17335812
2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17099334
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504232
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 10970901
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
CID 6462273
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
N-[(2-methylquinolin-5-yl)carbamothioyl]-4-propoxybenzamide
CID 17018382
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide (CID 2996969) is 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide is COc1ccc(C(=O)Nc2cccc3nc(C)ccc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide?
The InChIKey is FCJJZCFBOWTIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-9-14-15(20-12)5-4-6-16(14)21-19(22)13-8-10-17(23-2)18(11-13)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide?
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide has a molecular weight of 322.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 2996969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).