N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine

C17H21N5O — CID 167923022

IUPACN-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCCn1cc(CCNc2cc(C)nc3c(OC)cccc23)nn1
InChIInChI=1S/C17H21N5O/c1-4-22-11-13(20-21-22)8-9-18-15-10-12(2)19-17-14(15)6-5-7-16(17)23-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyODNYNYRUYGUOHH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine

N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine (PubChem CID 167923022) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine
PubChem CID167923022
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine
SMILESCCn1cc(CCNc2cc(C)nc3c(OC)cccc23)nn1
InChIInChI=1S/C17H21N5O/c1-4-22-11-13(20-21-22)8-9-18-15-10-12(2)19-17-14(15)6-5-7-16(17)23-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyODNYNYRUYGUOHH-UHFFFAOYSA-N
XLogP2.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine with MolForge

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Related Compounds

8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine (CID 167923022) is N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine is CCn1cc(CCNc2cc(C)nc3c(OC)cccc23)nn1.
What is the InChIKey of N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is ODNYNYRUYGUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-4-22-11-13(20-21-22)8-9-18-15-10-12(2)19-17-14(15)6-5-7-16(17)23-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine?
N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyltriazol-4-yl)ethyl]-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 167923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).