7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine

C17H24N2O2 — CID 103285328

IUPAC7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine
SMILESCCCC(C)COCc1cc2ccc(OC)cc2nc1N
InChIInChI=1S/C17H24N2O2/c1-4-5-12(2)10-21-11-14-8-13-6-7-15(20-3)9-16(13)19-17(14)18/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19)
InChIKeyXEKSZAWSLPEQSJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.78
Rot. Bonds7

About 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine

7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine (PubChem CID 103285328) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine
PubChem CID103285328
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine
SMILESCCCC(C)COCc1cc2ccc(OC)cc2nc1N
InChIInChI=1S/C17H24N2O2/c1-4-5-12(2)10-21-11-14-8-13-6-7-15(20-3)9-16(13)19-17(14)18/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19)
InChIKeyXEKSZAWSLPEQSJ-UHFFFAOYSA-N
XLogP3.78
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine?
The IUPAC name of 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine (CID 103285328) is 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine is CCCC(C)COCc1cc2ccc(OC)cc2nc1N.
What is the InChIKey of 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine?
The InChIKey is XEKSZAWSLPEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-12(2)10-21-11-14-8-13-6-7-15(20-3)9-16(13)19-17(14)18/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine?
7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-methylpentoxymethyl)quinolin-2-amine is sourced from PubChem (CID 103285328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).