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

C17H13Cl3N2O — CID 22113156

IUPAC2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline
SMILESCc1cc(Cl)c2cccc(OCc3c(Cl)ccc(N)c3Cl)c2n1
InChIInChI=1S/C17H13Cl3N2O/c1-9-7-13(19)10-3-2-4-15(17(10)22-9)23-8-11-12(18)5-6-14(21)16(11)20/h2-7H,8,21H2,1H3
InChIKeyVMJHWVSSSIWPGP-UHFFFAOYSA-N
MW367.66 g/mol
LogP5.66
Rot. Bonds3

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

2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline (PubChem CID 22113156) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline
PubChem CID22113156
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC Name2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline
SMILESCc1cc(Cl)c2cccc(OCc3c(Cl)ccc(N)c3Cl)c2n1
InChIInChI=1S/C17H13Cl3N2O/c1-9-7-13(19)10-3-2-4-15(17(10)22-9)23-8-11-12(18)5-6-14(21)16(11)20/h2-7H,8,21H2,1H3
InChIKeyVMJHWVSSSIWPGP-UHFFFAOYSA-N
XLogP5.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 55.66
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-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140
2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonic acid
CID 87616267
8-[(2,6-dichloro-3-pyrrolidin-1-ylsulfonylphenyl)methoxy]-2,4-dimethylquinoline
CID 141160203
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731
N-[2,4-dichloro-3-[(2-methyl-4-piperidin-1-ylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603305
N-[2-[2,4-dichloro-3-[(4-methoxy-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]butanamide;hydrochloride
CID 22113304
3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
CID 18923317
ethyl 1-[2,4-dichloro-3-[(2-methyl-4-pyrazol-1-ylquinolin-8-yl)oxymethyl]phenyl]pyrrole-2-carboxylate
CID 18321800
2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
CID 145480952
N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
CID 18321969
2,4-dichloro-N-ethyl-3-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 69109880
methylsulfonyl 2,4-dichloro-3-[[2-methyl-4-(1,2,4-triazol-1-yl)quinolin-8-yl]oxymethyl]benzenesulfonate
CID 158595492

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline?
The IUPAC name of 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline (CID 22113156) is 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline.
What is the SMILES notation for 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline?
The canonical SMILES for 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline is Cc1cc(Cl)c2cccc(OCc3c(Cl)ccc(N)c3Cl)c2n1.
What is the InChIKey of 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline?
The InChIKey is VMJHWVSSSIWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c1-9-7-13(19)10-3-2-4-15(17(10)22-9)23-8-11-12(18)5-6-14(21)16(11)20/h2-7H,8,21H2,1H3.
What are the key properties of 2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline?
2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline has a molecular weight of 367.66 g/mol, XLogP of 5.66, 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-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline is sourced from PubChem (CID 22113156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).