2-pentoxyquinolin-6-amine

C14H18N2O — CID 43451126

IUPAC2-pentoxyquinolin-6-amine
SMILESCCCCCOc1ccc2cc(N)ccc2n1
InChIInChI=1S/C14H18N2O/c1-2-3-4-9-17-14-8-5-11-10-12(15)6-7-13(11)16-14/h5-8,10H,2-4,9,15H2,1H3
InChIKeyPCAIAUZNLRYARB-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.39
Rot. Bonds5

About 2-pentoxyquinolin-6-amine

2-pentoxyquinolin-6-amine (PubChem CID 43451126) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-pentoxyquinolin-6-amine.

Molecular Properties

Compound Name2-pentoxyquinolin-6-amine
PubChem CID43451126
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-pentoxyquinolin-6-amine
SMILESCCCCCOc1ccc2cc(N)ccc2n1
InChIInChI=1S/C14H18N2O/c1-2-3-4-9-17-14-8-5-11-10-12(15)6-7-13(11)16-14/h5-8,10H,2-4,9,15H2,1H3
InChIKeyPCAIAUZNLRYARB-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)quinolin-6-amine
CID 43451073
2-(4-methylpentoxy)quinolin-6-amine
CID 43383054
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
2-(2-methylpropoxy)quinolin-6-amine
CID 43451075
2-(2-ethoxyphenoxy)quinolin-6-amine
CID 43451044
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
2-(4-ethoxyphenoxy)quinolin-6-amine
CID 43451038
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
2-(cyclohexylmethoxy)quinolin-6-amine
CID 62382729
2-propylquinolin-6-amine
CID 130537701

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyquinolin-6-amine?
The IUPAC name of 2-pentoxyquinolin-6-amine (CID 43451126) is 2-pentoxyquinolin-6-amine.
What is the SMILES notation for 2-pentoxyquinolin-6-amine?
The canonical SMILES for 2-pentoxyquinolin-6-amine is CCCCCOc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-pentoxyquinolin-6-amine?
The InChIKey is PCAIAUZNLRYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-9-17-14-8-5-11-10-12(15)6-7-13(11)16-14/h5-8,10H,2-4,9,15H2,1H3.
What are the key properties of 2-pentoxyquinolin-6-amine?
2-pentoxyquinolin-6-amine has a molecular weight of 230.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyquinolin-6-amine is sourced from PubChem (CID 43451126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).