N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine

C15H20N2O3 — CID 110432925

IUPACN-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NCC(OC)OC)cc(C)nc2c1
InChIInChI=1S/C15H20N2O3/c1-10-7-13(16-9-15(19-3)20-4)12-6-5-11(18-2)8-14(12)17-10/h5-8,15H,9H2,1-4H3,(H,16,17)
InChIKeyAQOCLGVQFOGUTG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.58
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine

N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine (PubChem CID 110432925) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine
PubChem CID110432925
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NCC(OC)OC)cc(C)nc2c1
InChIInChI=1S/C15H20N2O3/c1-10-7-13(16-9-15(19-3)20-4)12-6-5-11(18-2)8-14(12)17-10/h5-8,15H,9H2,1-4H3,(H,16,17)
InChIKeyAQOCLGVQFOGUTG-UHFFFAOYSA-N
XLogP2.58
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-[(7-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 110432928
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
7-methoxy-2-methyl-N-(3-propan-2-yloxypropyl)quinolin-4-amine
CID 110432904
N-(4-fluorophenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435606
N-cyclopentyl-7-methoxy-2-methylquinolin-4-amine
CID 110432874
7-methoxy-N-(2-methoxyphenyl)-2-methylquinolin-4-amine
CID 110435616
7-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435602
N-(3,4-dimethoxyphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 110435623
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 22417905
4-[(7-methoxy-2-methylquinolin-4-yl)amino]-3-methylphenol
CID 110435658

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine (CID 110432925) is N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine is COc1ccc2c(NCC(OC)OC)cc(C)nc2c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is AQOCLGVQFOGUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-13(16-9-15(19-3)20-4)12-6-5-11(18-2)8-14(12)17-10/h5-8,15H,9H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine?
N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 110432925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).