2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride

C17H16Cl4N2O — CID 22113140

IUPAC2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(N)c3Cl)c2n1.Cl.Cl
InChIInChI=1S/C17H14Cl2N2O.2ClH/c1-10-5-6-11-3-2-4-15(17(11)21-10)22-9-12-13(18)7-8-14(20)16(12)19;;/h2-8H,9,20H2,1H3;2*1H
InChIKeyVOQFHIVAZVKLBF-UHFFFAOYSA-N
MW406.14 g/mol
LogP5.85
Rot. Bonds3

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

2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride (PubChem CID 22113140) has the molecular formula C17H16Cl4N2O and a molecular weight of 406.14 g/mol. Its IUPAC name is 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride.

Molecular Properties

Compound Name2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
PubChem CID22113140
Molecular FormulaC17H16Cl4N2O
Molecular Weight406.14 g/mol
Exact Mass404.00
IUPAC Name2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(N)c3Cl)c2n1.Cl.Cl
InChIInChI=1S/C17H14Cl2N2O.2ClH/c1-10-5-6-11-3-2-4-15(17(11)21-10)22-9-12-13(18)7-8-14(20)16(12)19;;/h2-8H,9,20H2,1H3;2*1H
InChIKeyVOQFHIVAZVKLBF-UHFFFAOYSA-N
XLogP5.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.14
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline
CID 22113156
2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 69109880
N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
CID 18321969
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
8-[[2,6-dichloro-3-(1H-pyrrol-2-ylsulfonyl)phenyl]methoxy]-2-methylquinoline
CID 67694672
2-[[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylcarbamoyl]amino]acetic acid
CID 19603415
3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
CID 18923317
2-[N-carbamoyl-2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-N-phenylacetamide
CID 67695971
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 54560515

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride?
The IUPAC name of 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride (CID 22113140) is 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride.
What is the SMILES notation for 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride?
The canonical SMILES for 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride is Cc1ccc2cccc(OCc3c(Cl)ccc(N)c3Cl)c2n1.Cl.Cl.
What is the InChIKey of 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride?
The InChIKey is VOQFHIVAZVKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O.2ClH/c1-10-5-6-11-3-2-4-15(17(11)21-10)22-9-12-13(18)7-8-14(20)16(12)19;;/h2-8H,9,20H2,1H3;2*1H.
What are the key properties of 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride?
2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride has a molecular weight of 406.14 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride is sourced from PubChem (CID 22113140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).