2,4,5-trimethoxy-N-quinolin-3-ylbenzamide

C19H18N2O4 — CID 18146468

IUPAC2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-10-18(25-3)17(24-2)9-14(16)19(22)21-13-8-12-6-4-5-7-15(12)20-11-13/h4-11H,1-3H3,(H,21,22)
InChIKeyWLRZRFYHJFBSPF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.51
Rot. Bonds5

About 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide

2,4,5-trimethoxy-N-quinolin-3-ylbenzamide (PubChem CID 18146468) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
PubChem CID18146468
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-10-18(25-3)17(24-2)9-14(16)19(22)21-13-8-12-6-4-5-7-15(12)20-11-13/h4-11H,1-3H3,(H,21,22)
InChIKeyWLRZRFYHJFBSPF-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-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
methyl N-quinolin-3-ylcarbamate
CID 19697860
3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
CID 29330284
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
2-(2-methoxyethoxy)-N-quinolin-3-ylpyridine-3-carboxamide
CID 60566317
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 51337636
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
CID 142827920

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide?
The IUPAC name of 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide (CID 18146468) is 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide is COc1cc(OC)c(C(=O)Nc2cnc3ccccc3c2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide?
The InChIKey is WLRZRFYHJFBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-10-18(25-3)17(24-2)9-14(16)19(22)21-13-8-12-6-4-5-7-15(12)20-11-13/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide?
2,4,5-trimethoxy-N-quinolin-3-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 2,4,5-trimethoxy-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 18146468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).