3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine

C21H21N3O — CID 54271339

IUPAC3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine
SMILESNCCCn1ccc2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C21H21N3O/c22-11-3-12-24-13-10-17-14-19(8-9-21(17)24)25-15-18-7-6-16-4-1-2-5-20(16)23-18/h1-2,4-10,13-14H,3,11-12,15,22H2
InChIKeyRKIVDBPWHNFFGB-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.12
Rot. Bonds6

About 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine

3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine (PubChem CID 54271339) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine
PubChem CID54271339
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine
SMILESNCCCn1ccc2cc(OCc3ccc4ccccc4n3)ccc21
InChIInChI=1S/C21H21N3O/c22-11-3-12-24-13-10-17-14-19(8-9-21(17)24)25-15-18-7-6-16-4-1-2-5-20(16)23-18/h1-2,4-10,13-14H,3,11-12,15,22H2
InChIKeyRKIVDBPWHNFFGB-UHFFFAOYSA-N
XLogP4.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine (CID 54271339) is 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine is NCCCn1ccc2cc(OCc3ccc4ccccc4n3)ccc21.
What is the InChIKey of 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine?
The InChIKey is RKIVDBPWHNFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c22-11-3-12-24-13-10-17-14-19(8-9-21(17)24)25-15-18-7-6-16-4-1-2-5-20(16)23-18/h1-2,4-10,13-14H,3,11-12,15,22H2.
What are the key properties of 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine?
3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine has a molecular weight of 331.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(quinolin-2-ylmethoxy)indol-1-yl]propan-1-amine is sourced from PubChem (CID 54271339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).