N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide

C19H17ClN2O2 — CID 43860367

IUPACN-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c1-11-10-16(13-8-9-15(20)12(2)18(13)21-11)22-19(23)14-6-4-5-7-17(14)24-3/h4-10H,1-3H3,(H,21,22,23)
InChIKeyCICWLJOFQDGYAP-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.77
Rot. Bonds3

About N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide

N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide (PubChem CID 43860367) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
PubChem CID43860367
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c1-11-10-16(13-8-9-15(20)12(2)18(13)21-11)22-19(23)14-6-4-5-7-17(14)24-3/h4-10H,1-3H3,(H,21,22,23)
InChIKeyCICWLJOFQDGYAP-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide?
The IUPAC name of N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide (CID 43860367) is N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide?
The canonical SMILES for N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C)nc2c(C)c(Cl)ccc12.
What is the InChIKey of N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide?
The InChIKey is CICWLJOFQDGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-10-16(13-8-9-15(20)12(2)18(13)21-11)22-19(23)14-6-4-5-7-17(14)24-3/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide?
N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide has a molecular weight of 340.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide is sourced from PubChem (CID 43860367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).