N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide

C18H23ClN2O2 — CID 3216950

IUPACN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(CCOC)Cc1cc2cc(C)c(C)cc2nc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-5-17(22)21(6-7-23-4)11-15-10-14-8-12(2)13(3)9-16(14)20-18(15)19/h8-10H,5-7,11H2,1-4H3
InChIKeyWIHFTNNEUJFZSA-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.89
Rot. Bonds6

About N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide

N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide (PubChem CID 3216950) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide
PubChem CID3216950
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(CCOC)Cc1cc2cc(C)c(C)cc2nc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-5-17(22)21(6-7-23-4)11-15-10-14-8-12(2)13(3)9-16(14)20-18(15)19/h8-10H,5-7,11H2,1-4H3
InChIKeyWIHFTNNEUJFZSA-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide (CID 3216950) is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide is CCC(=O)N(CCOC)Cc1cc2cc(C)c(C)cc2nc1Cl.
What is the InChIKey of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide?
The InChIKey is WIHFTNNEUJFZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-5-17(22)21(6-7-23-4)11-15-10-14-8-12(2)13(3)9-16(14)20-18(15)19/h8-10H,5-7,11H2,1-4H3.
What are the key properties of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide?
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide has a molecular weight of 334.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 3216950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).