6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline

C20H22N4 — CID 11723421

IUPAC6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
SMILESC[C@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ncc2c1
InChIInChI=1S/C20H22N4/c1-15-4-3-10-24(15)11-8-16-6-7-19-18(12-16)14-22-20(23-19)17-5-2-9-21-13-17/h2,5-7,9,12-15H,3-4,8,10-11H2,1H3/t15-/m0/s1
InChIKeySOZIXYLVABAHHP-HNNXBMFYSA-N
MW318.42 g/mol
LogP3.72
Rot. Bonds4

About 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline

6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline (PubChem CID 11723421) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
PubChem CID11723421
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
SMILESC[C@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ncc2c1
InChIInChI=1S/C20H22N4/c1-15-4-3-10-24(15)11-8-16-6-7-19-18(12-16)14-22-20(23-19)17-5-2-9-21-13-17/h2,5-7,9,12-15H,3-4,8,10-11H2,1H3/t15-/m0/s1
InChIKeySOZIXYLVABAHHP-HNNXBMFYSA-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

7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
CID 10403546
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
CID 11574500
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25156750
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 11618861
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one;sulfuric acid
CID 11539261
2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline
CID 67104660
7-(3-chloro-4-pyridinyl)-3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinoline
CID 25196516
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline (CID 11723421) is 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline is C[C@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ncc2c1.
What is the InChIKey of 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline?
The InChIKey is SOZIXYLVABAHHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-4-3-10-24(15)11-8-16-6-7-19-18(12-16)14-22-20(23-19)17-5-2-9-21-13-17/h2,5-7,9,12-15H,3-4,8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline?
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline 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-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 11723421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).