6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline

C21H23N3 — CID 46890523

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1
InChIInChI=1S/C21H23N3/c1-16-3-2-13-24(16)14-10-17-4-6-21-19(15-17)5-7-20(23-21)18-8-11-22-12-9-18/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3/t16-/m1/s1
InChIKeyBYTPONDKUKDMDH-MRXNPFEDSA-N
MW317.44 g/mol
LogP4.32
Rot. Bonds4

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline (PubChem CID 46890523) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline
PubChem CID46890523
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1
InChIInChI=1S/C21H23N3/c1-16-3-2-13-24(16)14-10-17-4-6-21-19(15-17)5-7-20(23-21)18-8-11-22-12-9-18/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3/t16-/m1/s1
InChIKeyBYTPONDKUKDMDH-MRXNPFEDSA-N
XLogP4.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline (CID 46890523) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline?
The InChIKey is BYTPONDKUKDMDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-3-2-13-24(16)14-10-17-4-6-21-19(15-17)5-7-20(23-21)18-8-11-22-12-9-18/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline has a molecular weight of 317.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-4-ylquinoline is sourced from PubChem (CID 46890523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).