8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine

C16H12Cl2N2O — CID 60864766

IUPAC8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
SMILESNc1ccc(OCc2ccc(Cl)cc2Cl)c2ncccc12
InChIInChI=1S/C16H12Cl2N2O/c17-11-4-3-10(13(18)8-11)9-21-15-6-5-14(19)12-2-1-7-20-16(12)15/h1-8H,9,19H2
InChIKeyATHKCWGRMZJHMJ-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.70
Rot. Bonds3

About 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine

8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine (PubChem CID 60864766) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine.

Molecular Properties

Compound Name8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
PubChem CID60864766
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
SMILESNc1ccc(OCc2ccc(Cl)cc2Cl)c2ncccc12
InChIInChI=1S/C16H12Cl2N2O/c17-11-4-3-10(13(18)8-11)9-21-15-6-5-14(19)12-2-1-7-20-16(12)15/h1-8H,9,19H2
InChIKeyATHKCWGRMZJHMJ-UHFFFAOYSA-N
XLogP4.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.70
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

8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
8-(3,5-dichlorophenoxy)quinolin-5-amine
CID 43621813
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
5-chloro-2-(quinolin-5-yloxymethyl)aniline
CID 103044256
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
CID 107899466
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 3733649

Frequently Asked Questions

What is the IUPAC name of 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine?
The IUPAC name of 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine (CID 60864766) is 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine.
What is the SMILES notation for 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine?
The canonical SMILES for 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine is Nc1ccc(OCc2ccc(Cl)cc2Cl)c2ncccc12.
What is the InChIKey of 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine?
The InChIKey is ATHKCWGRMZJHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-11-4-3-10(13(18)8-11)9-21-15-6-5-14(19)12-2-1-7-20-16(12)15/h1-8H,9,19H2.
What are the key properties of 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine?
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine has a molecular weight of 319.19 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine is sourced from PubChem (CID 60864766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).