3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine

C16H21N3O — CID 175884266

IUPAC3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
SMILESNc1nc2ccccc2cc1OCCCN1CCCC1
InChIInChI=1S/C16H21N3O/c17-16-15(12-13-6-1-2-7-14(13)18-16)20-11-5-10-19-8-3-4-9-19/h1-2,6-7,12H,3-5,8-11H2,(H2,17,18)
InChIKeyRNOJKMUOPLVVCQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds5

About 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine

3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine (PubChem CID 175884266) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
PubChem CID175884266
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
SMILESNc1nc2ccccc2cc1OCCCN1CCCC1
InChIInChI=1S/C16H21N3O/c17-16-15(12-13-6-1-2-7-14(13)18-16)20-11-5-10-19-8-3-4-9-19/h1-2,6-7,12H,3-5,8-11H2,(H2,17,18)
InChIKeyRNOJKMUOPLVVCQ-UHFFFAOYSA-N
XLogP2.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
CID 130345824
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
4-(3-pyrrolidin-1-ylpropoxy)-1,3-benzothiazol-2-amine
CID 175835761
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine (CID 175884266) is 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine is Nc1nc2ccccc2cc1OCCCN1CCCC1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine?
The InChIKey is RNOJKMUOPLVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16-15(12-13-6-1-2-7-14(13)18-16)20-11-5-10-19-8-3-4-9-19/h1-2,6-7,12H,3-5,8-11H2,(H2,17,18).
What are the key properties of 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine?
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine is sourced from PubChem (CID 175884266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).