6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline

C20H22N4 — CID 11723422

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1
InChIInChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
InChIKeyIBAYEFUGCWIWRD-OAHLLOKOSA-N
MW318.42 g/mol
LogP3.72
Rot. Bonds4

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline (PubChem CID 11723422) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline
PubChem CID11723422
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1
InChIInChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
InChIKeyIBAYEFUGCWIWRD-OAHLLOKOSA-N
XLogP3.72
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline (CID 11723422) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline?
The InChIKey is IBAYEFUGCWIWRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline has a molecular weight of 318.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-pyrimidin-5-ylquinoline is sourced from PubChem (CID 11723422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).