3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine

C36H46N2O4 — CID 90318985

IUPAC3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine
SMILESCCCCCCOc1ccccc1OCCCNc1c(Oc2ccccc2OCCCCCC)cnc2ccccc12
InChIInChI=1S/C36H46N2O4/c1-3-5-7-15-25-39-31-20-11-12-21-32(31)41-27-17-24-37-36-29-18-9-10-19-30(29)38-28-35(36)42-34-23-14-13-22-33(34)40-26-16-8-6-4-2/h9-14,18-23,28H,3-8,15-17,24-27H2,1-2H3,(H,37,38)
InChIKeyNKDMTSCIXQVLQS-UHFFFAOYSA-N
MW570.77 g/mol
LogP9.83
Rot. Bonds20

About 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine

3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine (PubChem CID 90318985) has the molecular formula C36H46N2O4 and a molecular weight of 570.77 g/mol. Its IUPAC name is 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine.

Molecular Properties

Compound Name3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine
PubChem CID90318985
Molecular FormulaC36H46N2O4
Molecular Weight570.77 g/mol
Exact Mass570.35
IUPAC Name3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine
SMILESCCCCCCOc1ccccc1OCCCNc1c(Oc2ccccc2OCCCCCC)cnc2ccccc12
InChIInChI=1S/C36H46N2O4/c1-3-5-7-15-25-39-31-20-11-12-21-32(31)41-27-17-24-37-36-29-18-9-10-19-30(29)38-28-35(36)42-34-23-14-13-22-33(34)40-26-16-8-6-4-2/h9-14,18-23,28H,3-8,15-17,24-27H2,1-2H3,(H,37,38)
InChIKeyNKDMTSCIXQVLQS-UHFFFAOYSA-N
XLogP9.83
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.77
LogP ≤ 59.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine with MolForge

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Related Compounds

3-pentoxyquinoline-4-carboxylic acid
CID 79593988
N,N'-bis(4-propoxyacridin-9-yl)butane-1,4-diamine
CID 21198496
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
N'-(4-butoxyacridin-9-yl)-N-[3-[(4-butoxyacridin-9-yl)amino]propyl]butane-1,4-diamine;hydrochloride
CID 54610944
1,4-didodecoxynaphthalene
CID 21304164
1-methyl-2-pentadecoxybenzene
CID 154641785
N-hexyl-8-methoxyquinolin-4-amine;8-methoxy-N-(4-methoxybutyl)quinolin-4-amine;8-methoxy-N-(6-methoxyhexyl)quinolin-4-amine;N-(5-methoxypentyl)quinolin-4-amine
CID 159618748
3-(aminomethyl)-N-propylquinolin-4-amine
CID 62103251
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021

Frequently Asked Questions

What is the IUPAC name of 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine?
The IUPAC name of 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine (CID 90318985) is 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine.
What is the SMILES notation for 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine?
The canonical SMILES for 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine is CCCCCCOc1ccccc1OCCCNc1c(Oc2ccccc2OCCCCCC)cnc2ccccc12.
What is the InChIKey of 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine?
The InChIKey is NKDMTSCIXQVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N2O4/c1-3-5-7-15-25-39-31-20-11-12-21-32(31)41-27-17-24-37-36-29-18-9-10-19-30(29)38-28-35(36)42-34-23-14-13-22-33(34)40-26-16-8-6-4-2/h9-14,18-23,28H,3-8,15-17,24-27H2,1-2H3,(H,37,38).
What are the key properties of 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine?
3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine has a molecular weight of 570.77 g/mol, XLogP of 9.83, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hexoxyphenoxy)-N-[3-(2-hexoxyphenoxy)propyl]quinolin-4-amine is sourced from PubChem (CID 90318985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).