3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

C17H20N4O — CID 54580343

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2cn[nH]c2)C1)N1CCCc2ccccc21
InChIInChI=1S/C17H20N4O/c22-17(20-9-7-14(12-20)15-10-18-19-11-15)21-8-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,10-11,14H,3,5,7-9,12H2,(H,18,19)
InChIKeyCWTOLCPMXYKCCN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 54580343) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID54580343
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2cn[nH]c2)C1)N1CCCc2ccccc21
InChIInChI=1S/C17H20N4O/c22-17(20-9-7-14(12-20)15-10-18-19-11-15)21-8-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,10-11,14H,3,5,7-9,12H2,(H,18,19)
InChIKeyCWTOLCPMXYKCCN-UHFFFAOYSA-N
XLogP2.77
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 54580343) is 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2cn[nH]c2)C1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CWTOLCPMXYKCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-9-7-14(12-20)15-10-18-19-11-15)21-8-3-5-13-4-1-2-6-16(13)21/h1-2,4,6,10-11,14H,3,5,7-9,12H2,(H,18,19).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 54580343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).