8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine

C24H31N3O2 — CID 11741307

IUPAC8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
SMILESCCN(CC)c1cccc(OCCCC(C)Oc2cccc3ccc(N)nc23)c1
InChIInChI=1S/C24H31N3O2/c1-4-27(5-2)20-11-7-12-21(17-20)28-16-8-9-18(3)29-22-13-6-10-19-14-15-23(25)26-24(19)22/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H2,25,26)
InChIKeyPJFCCHZNBSVWFO-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.29
Rot. Bonds10

About 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine

8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine (PubChem CID 11741307) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
PubChem CID11741307
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
SMILESCCN(CC)c1cccc(OCCCC(C)Oc2cccc3ccc(N)nc23)c1
InChIInChI=1S/C24H31N3O2/c1-4-27(5-2)20-11-7-12-21(17-20)28-16-8-9-18(3)29-22-13-6-10-19-14-15-23(25)26-24(19)22/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H2,25,26)
InChIKeyPJFCCHZNBSVWFO-UHFFFAOYSA-N
XLogP5.29
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.29
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-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254576
8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
CID 70036629
8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 10316013
8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254542
8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
CID 70036896
8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 22254589
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
CID 62582853
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 70038950

Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The IUPAC name of 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine (CID 11741307) is 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine.
What is the SMILES notation for 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The canonical SMILES for 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine is CCN(CC)c1cccc(OCCCC(C)Oc2cccc3ccc(N)nc23)c1.
What is the InChIKey of 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The InChIKey is PJFCCHZNBSVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-27(5-2)20-11-7-12-21(17-20)28-16-8-9-18(3)29-22-13-6-10-19-14-15-23(25)26-24(19)22/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3,(H2,25,26).
What are the key properties of 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine?
8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine has a molecular weight of 393.53 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine is sourced from PubChem (CID 11741307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).