4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine

C18H23N3 — CID 103000935

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
SMILESNc1ccc2c(N3CCCC3C3CCCC3)ccnc2c1
InChIInChI=1S/C18H23N3/c19-14-7-8-15-16(12-14)20-10-9-18(15)21-11-3-6-17(21)13-4-1-2-5-13/h7-10,12-13,17H,1-6,11,19H2
InChIKeyVAVHUPMUAVOFGV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.98
Rot. Bonds2

About 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine

4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine (PubChem CID 103000935) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
PubChem CID103000935
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
SMILESNc1ccc2c(N3CCCC3C3CCCC3)ccnc2c1
InChIInChI=1S/C18H23N3/c19-14-7-8-15-16(12-14)20-10-9-18(15)21-11-3-6-17(21)13-4-1-2-5-13/h7-10,12-13,17H,1-6,11,19H2
InChIKeyVAVHUPMUAVOFGV-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine (CID 103000935) is 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine is Nc1ccc2c(N3CCCC3C3CCCC3)ccnc2c1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine?
The InChIKey is VAVHUPMUAVOFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-14-7-8-15-16(12-14)20-10-9-18(15)21-11-3-6-17(21)13-4-1-2-5-13/h7-10,12-13,17H,1-6,11,19H2.
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine?
4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine has a molecular weight of 281.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine is sourced from PubChem (CID 103000935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).