8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine

C16H12ClFN2O — CID 102855349

IUPAC8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
SMILESNc1ccc(OCc2cccc(Cl)c2F)c2ncccc12
InChIInChI=1S/C16H12ClFN2O/c17-12-5-1-3-10(15(12)18)9-21-14-7-6-13(19)11-4-2-8-20-16(11)14/h1-8H,9,19H2
InChIKeyOQGOMRBSPKNKRO-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.19
Rot. Bonds3

About 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine

8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine (PubChem CID 102855349) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine.

Molecular Properties

Compound Name8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
PubChem CID102855349
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
SMILESNc1ccc(OCc2cccc(Cl)c2F)c2ncccc12
InChIInChI=1S/C16H12ClFN2O/c17-12-5-1-3-10(15(12)18)9-21-14-7-6-13(19)11-4-2-8-20-16(11)14/h1-8H,9,19H2
InChIKeyOQGOMRBSPKNKRO-UHFFFAOYSA-N
XLogP4.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.19
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-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695221
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
3-[(3-chloro-2-fluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 102855362
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315
8-[(3-chloro-4-pyridinyl)oxy]quinolin-5-amine
CID 79840623
3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
CID 102855336
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
CID 107899466

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine?
The IUPAC name of 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine (CID 102855349) is 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine.
What is the SMILES notation for 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine?
The canonical SMILES for 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine is Nc1ccc(OCc2cccc(Cl)c2F)c2ncccc12.
What is the InChIKey of 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine?
The InChIKey is OQGOMRBSPKNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-12-5-1-3-10(15(12)18)9-21-14-7-6-13(19)11-4-2-8-20-16(11)14/h1-8H,9,19H2.
What are the key properties of 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine?
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine has a molecular weight of 302.74 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine is sourced from PubChem (CID 102855349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).