4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide

C18H15ClN2O3 — CID 14791088

IUPAC4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2)c2ncccc2c1OC
InChIInChI=1S/C18H15ClN2O3/c1-23-15-10-14(16-13(17(15)24-2)4-3-9-20-16)21-18(22)11-5-7-12(19)8-6-11/h3-10H,1-2H3,(H,21,22)
InChIKeyMHFXYWLVEZVPPF-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.16
Rot. Bonds4

About 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide

4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide (PubChem CID 14791088) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
PubChem CID14791088
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2)c2ncccc2c1OC
InChIInChI=1S/C18H15ClN2O3/c1-23-15-10-14(16-13(17(15)24-2)4-3-9-20-16)21-18(22)11-5-7-12(19)8-6-11/h3-10H,1-2H3,(H,21,22)
InChIKeyMHFXYWLVEZVPPF-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

(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N'-[5-(4-chlorophenoxy)-6-methoxyquinolin-8-yl]ethane-1,2-diamine;phosphoric acid
CID 172885329
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide
CID 134850051
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
CID 15406018
N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide
CID 132548350
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55881315

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide?
The IUPAC name of 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide (CID 14791088) is 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide is COc1cc(NC(=O)c2ccc(Cl)cc2)c2ncccc2c1OC.
What is the InChIKey of 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide?
The InChIKey is MHFXYWLVEZVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-15-10-14(16-13(17(15)24-2)4-3-9-20-16)21-18(22)11-5-7-12(19)8-6-11/h3-10H,1-2H3,(H,21,22).
What are the key properties of 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide?
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide 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 4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide is sourced from PubChem (CID 14791088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).