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

C20H22N4 — CID 67104660

IUPAC2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline
SMILESCC1CCCN1CCc1ccc2cc(-c3cncnc3)ccc2n1
InChIInChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-19-6-4-17-11-16(5-7-20(17)23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3
InChIKeyKDXCBMBQRLOFNY-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.72
Rot. Bonds4

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

2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline (PubChem CID 67104660) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline.

Molecular Properties

Compound Name2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline
PubChem CID67104660
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline
SMILESCC1CCCN1CCc1ccc2cc(-c3cncnc3)ccc2n1
InChIInChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-19-6-4-17-11-16(5-7-20(17)23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3
InChIKeyKDXCBMBQRLOFNY-UHFFFAOYSA-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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Related Compounds

2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-pyridin-4-ylquinoline
CID 10064429
6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 10450377
6-(2,6-dimethyl-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25196390
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyrimidin-5-ylphenyl)-1,3-oxazole
CID 58951472
5-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinolin-7-yl]pyridine-3-carbonitrile
CID 25196515
7-(3-chloro-4-pyridinyl)-3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinoline
CID 25196516
4-[3-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]isoquinolin-7-yl]benzonitrile
CID 10088709
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
CID 67533472
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
CID 11723421
[5-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]isoindol-2-yl]-(oxan-4-yl)methanone
CID 68782789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline?
The IUPAC name of 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline (CID 67104660) is 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline.
What is the SMILES notation for 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline?
The canonical SMILES for 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline is CC1CCCN1CCc1ccc2cc(-c3cncnc3)ccc2n1.
What is the InChIKey of 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline?
The InChIKey is KDXCBMBQRLOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-19-6-4-17-11-16(5-7-20(17)23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3.
What are the key properties of 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline?
2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-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 2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline is sourced from PubChem (CID 67104660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).