2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C21H26N4 — CID 10019811

IUPAC2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C
InChIInChI=1S/C21H26N4/c1-15-5-4-11-25(15)12-10-17-6-8-20-18(13-17)7-9-21(23-20)19-14-22-24(3)16(19)2/h6-9,13-15H,4-5,10-12H2,1-3H3/t15-/m1/s1
InChIKeyDTNZMCVNYXFSAS-OAHLLOKOSA-N
MW334.47 g/mol
LogP3.97
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 10019811) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID10019811
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C
InChIInChI=1S/C21H26N4/c1-15-5-4-11-25(15)12-10-17-6-8-20-18(13-17)7-9-21(23-20)19-14-22-24(3)16(19)2/h6-9,13-15H,4-5,10-12H2,1-3H3/t15-/m1/s1
InChIKeyDTNZMCVNYXFSAS-OAHLLOKOSA-N
XLogP3.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 10019811) is 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is DTNZMCVNYXFSAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4/c1-15-5-4-11-25(15)12-10-17-6-8-20-18(13-17)7-9-21(23-20)19-14-22-24(3)16(19)2/h6-9,13-15H,4-5,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 334.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 10019811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).