2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline

C19H18Cl2N2O — CID 69109880

IUPAC2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
SMILESCCNc1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
InChIInChI=1S/C19H18Cl2N2O/c1-3-22-16-10-9-15(20)14(18(16)21)11-24-17-6-4-5-13-8-7-12(2)23-19(13)17/h4-10,22H,3,11H2,1-2H3
InChIKeyMPHODDGQYGDYCS-UHFFFAOYSA-N
MW361.27 g/mol
LogP5.86
Rot. Bonds5

About 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline

2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline (PubChem CID 69109880) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
PubChem CID69109880
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC Name2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
SMILESCCNc1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
InChIInChI=1S/C19H18Cl2N2O/c1-3-22-16-10-9-15(20)14(18(16)21)11-24-17-6-4-5-13-8-7-12(2)23-19(13)17/h4-10,22H,3,11H2,1-2H3
InChIKeyMPHODDGQYGDYCS-UHFFFAOYSA-N
XLogP5.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.27
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
CID 18321969
2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19603314
8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline
CID 67694672
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
2-[[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylcarbamoyl]amino]acetic acid
CID 19603415
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide
CID 67695971
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline?
The IUPAC name of 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline (CID 69109880) is 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline is CCNc1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl.
What is the InChIKey of 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline?
The InChIKey is MPHODDGQYGDYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c1-3-22-16-10-9-15(20)14(18(16)21)11-24-17-6-4-5-13-8-7-12(2)23-19(13)17/h4-10,22H,3,11H2,1-2H3.
What are the key properties of 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline?
2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline has a molecular weight of 361.27 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline is sourced from PubChem (CID 69109880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).