8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine

C21H24N2O2 — CID 70036896

IUPAC8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
SMILESCc1ccccc1OC(C)CCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C21H24N2O2/c1-15-7-3-4-10-18(15)25-16(2)8-6-14-24-19-11-5-9-17-12-13-20(22)23-21(17)19/h3-5,7,9-13,16H,6,8,14H2,1-2H3,(H2,22,23)
InChIKeyBONNAMFCGJZFEO-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.75
Rot. Bonds7

About 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine

8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine (PubChem CID 70036896) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
PubChem CID70036896
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
SMILESCc1ccccc1OC(C)CCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C21H24N2O2/c1-15-7-3-4-10-18(15)25-16(2)8-6-14-24-19-11-5-9-17-12-13-20(22)23-21(17)19/h3-5,7,9-13,16H,6,8,14H2,1-2H3,(H2,22,23)
InChIKeyBONNAMFCGJZFEO-UHFFFAOYSA-N
XLogP4.75
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.75
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-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 10316013
8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 22254589
8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
CID 70036629
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254542
8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254576
8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 11741307
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
6-(2-methylquinolin-8-yl)oxyhexan-3-amine
CID 106800887
8-(3-cyclohexylpropoxy)quinolin-2-amine
CID 70039027
8-[(E)-but-2-enoxy]quinolin-2-amine
CID 10036173
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine?
The IUPAC name of 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine (CID 70036896) is 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine.
What is the SMILES notation for 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine?
The canonical SMILES for 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine is Cc1ccccc1OC(C)CCCOc1cccc2ccc(N)nc12.
What is the InChIKey of 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine?
The InChIKey is BONNAMFCGJZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-7-3-4-10-18(15)25-16(2)8-6-14-24-19-11-5-9-17-12-13-20(22)23-21(17)19/h3-5,7,9-13,16H,6,8,14H2,1-2H3,(H2,22,23).
What are the key properties of 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine?
8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine is sourced from PubChem (CID 70036896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).