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

C21H24N2O3 — CID 10316013

IUPAC8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
SMILESCOc1ccc(OCCCC(C)Oc2cccc3ccc(N)nc23)cc1
InChIInChI=1S/C21H24N2O3/c1-15(5-4-14-25-18-11-9-17(24-2)10-12-18)26-19-7-3-6-16-8-13-20(22)23-21(16)19/h3,6-13,15H,4-5,14H2,1-2H3,(H2,22,23)
InChIKeyYRYYXEGPKXDRRY-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.45
Rot. Bonds8

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

8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine (PubChem CID 10316013) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
PubChem CID10316013
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
SMILESCOc1ccc(OCCCC(C)Oc2cccc3ccc(N)nc23)cc1
InChIInChI=1S/C21H24N2O3/c1-15(5-4-14-25-18-11-9-17(24-2)10-12-18)26-19-7-3-6-16-8-13-20(22)23-21(16)19/h3,6-13,15H,4-5,14H2,1-2H3,(H2,22,23)
InChIKeyYRYYXEGPKXDRRY-UHFFFAOYSA-N
XLogP4.45
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254542
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-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
CID 70036896
8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 11741307
8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 22254589
3-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 70038950
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
8-[(E)-but-2-enoxy]quinolin-2-amine
CID 10036173
hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
CID 139156737

Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine?
The IUPAC name of 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine (CID 10316013) is 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine.
What is the SMILES notation for 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine?
The canonical SMILES for 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine is COc1ccc(OCCCC(C)Oc2cccc3ccc(N)nc23)cc1.
What is the InChIKey of 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine?
The InChIKey is YRYYXEGPKXDRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(5-4-14-25-18-11-9-17(24-2)10-12-18)26-19-7-3-6-16-8-13-20(22)23-21(16)19/h3,6-13,15H,4-5,14H2,1-2H3,(H2,22,23).
What are the key properties of 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine?
8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine has a molecular weight of 352.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine is sourced from PubChem (CID 10316013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).