8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine

C21H23ClN2O2 — CID 22254589

IUPAC8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
SMILESCc1ccc(OCCCC(C)Oc2cccc3ccc(N)nc23)c(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-8-10-18(17(22)13-14)25-12-4-5-15(2)26-19-7-3-6-16-9-11-20(23)24-21(16)19/h3,6-11,13,15H,4-5,12H2,1-2H3,(H2,23,24)
InChIKeyQYLVEIHPJPPXOQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.41
Rot. Bonds7

About 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine

8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine (PubChem CID 22254589) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
PubChem CID22254589
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
SMILESCc1ccc(OCCCC(C)Oc2cccc3ccc(N)nc23)c(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-8-10-18(17(22)13-14)25-12-4-5-15(2)26-19-7-3-6-16-9-11-20(23)24-21(16)19/h3,6-11,13,15H,4-5,12H2,1-2H3,(H2,23,24)
InChIKeyQYLVEIHPJPPXOQ-UHFFFAOYSA-N
XLogP5.41
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
CID 70036896
8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 10316013
8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
CID 70036629
8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254576
8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254542
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 11741307
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
8-[3-(4-bromo-2-chlorophenoxy)propoxy]-2-methylquinoline;oxalic acid
CID 2935736
4-(2-chloro-4-methylphenoxy)butanenitrile
CID 62669172

Frequently Asked Questions

What is the IUPAC name of 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine?
The IUPAC name of 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine (CID 22254589) is 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine.
What is the SMILES notation for 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine?
The canonical SMILES for 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine is Cc1ccc(OCCCC(C)Oc2cccc3ccc(N)nc23)c(Cl)c1.
What is the InChIKey of 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine?
The InChIKey is QYLVEIHPJPPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-8-10-18(17(22)13-14)25-12-4-5-15(2)26-19-7-3-6-16-9-11-20(23)24-21(16)19/h3,6-11,13,15H,4-5,12H2,1-2H3,(H2,23,24).
What are the key properties of 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine?
8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine has a molecular weight of 370.88 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine is sourced from PubChem (CID 22254589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).