3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide

C18H15ClN2O3 — CID 17396837

IUPAC3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC
InChIInChI=1S/C18H15ClN2O3/c1-23-16-10-11(9-13(19)17(16)24-2)18(22)21-15-7-3-6-14-12(15)5-4-8-20-14/h3-10H,1-2H3,(H,21,22)
InChIKeyRIPVXKDAXXKVHP-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.16
Rot. Bonds4

About 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide

3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide (PubChem CID 17396837) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
PubChem CID17396837
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC
InChIInChI=1S/C18H15ClN2O3/c1-23-16-10-11(9-13(19)17(16)24-2)18(22)21-15-7-3-6-14-12(15)5-4-8-20-14/h3-10H,1-2H3,(H,21,22)
InChIKeyRIPVXKDAXXKVHP-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 26181544
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 26888396
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193
3,5-dichloro-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 17440573

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide (CID 17396837) is 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide is COc1cc(C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is RIPVXKDAXXKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-16-10-11(9-13(19)17(16)24-2)18(22)21-15-7-3-6-14-12(15)5-4-8-20-14/h3-10H,1-2H3,(H,21,22).
What are the key properties of 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide?
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 342.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 17396837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).