N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine

C21H24N2O3 — CID 31196496

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
SMILESCOc1ccc2nc(NCCc3ccc(OC)c(OC)c3)cc(C)c2c1
InChIInChI=1S/C21H24N2O3/c1-14-11-21(23-18-7-6-16(24-2)13-17(14)18)22-10-9-15-5-8-19(25-3)20(12-15)26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)
InChIKeyKNCPXOSVWSOWSQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.22
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine (PubChem CID 31196496) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
PubChem CID31196496
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
SMILESCOc1ccc2nc(NCCc3ccc(OC)c(OC)c3)cc(C)c2c1
InChIInChI=1S/C21H24N2O3/c1-14-11-21(23-18-7-6-16(24-2)13-17(14)18)22-10-9-15-5-8-19(25-3)20(12-15)26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)
InChIKeyKNCPXOSVWSOWSQ-UHFFFAOYSA-N
XLogP4.22
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954340
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine
CID 31196612
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 126464042
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922529
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544
4-N-(3,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874246
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine (CID 31196496) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine is COc1ccc2nc(NCCc3ccc(OC)c(OC)c3)cc(C)c2c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine?
The InChIKey is KNCPXOSVWSOWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-11-21(23-18-7-6-16(24-2)13-17(14)18)22-10-9-15-5-8-19(25-3)20(12-15)26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine has a molecular weight of 352.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine is sourced from PubChem (CID 31196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).