2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine

C20H22N4 — CID 133451671

IUPAC2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine
SMILESCc1nc2ccccc2c(NC2CCN(c3ccccn3)C2)c1C
InChIInChI=1S/C20H22N4/c1-14-15(2)22-18-8-4-3-7-17(18)20(14)23-16-10-12-24(13-16)19-9-5-6-11-21-19/h3-9,11,16H,10,12-13H2,1-2H3,(H,22,23)
InChIKeyUBGPZPOUKWJXAK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.94
Rot. Bonds3

About 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine

2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine (PubChem CID 133451671) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine
PubChem CID133451671
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine
SMILESCc1nc2ccccc2c(NC2CCN(c3ccccn3)C2)c1C
InChIInChI=1S/C20H22N4/c1-14-15(2)22-18-8-4-3-7-17(18)20(14)23-16-10-12-24(13-16)19-9-5-6-11-21-19/h3-9,11,16H,10,12-13H2,1-2H3,(H,22,23)
InChIKeyUBGPZPOUKWJXAK-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine?
The IUPAC name of 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine (CID 133451671) is 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine?
The canonical SMILES for 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine is Cc1nc2ccccc2c(NC2CCN(c3ccccn3)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine?
The InChIKey is UBGPZPOUKWJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-15(2)22-18-8-4-3-7-17(18)20(14)23-16-10-12-24(13-16)19-9-5-6-11-21-19/h3-9,11,16H,10,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine?
2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine is sourced from PubChem (CID 133451671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).