(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H24N4O — CID 54587244

IUPAC(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21
InChIInChI=1S/C19H24N4O/c1-19(2)8-10-23(17-6-4-3-5-16(17)19)18(24)22-9-7-14(13-22)15-11-20-21-12-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,21)
InChIKeyDWKSFPSDYRFESD-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.51
Rot. Bonds1

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

(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 54587244) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID54587244
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCC1(C)CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21
InChIInChI=1S/C19H24N4O/c1-19(2)8-10-23(17-6-4-3-5-16(17)19)18(24)22-9-7-14(13-22)15-11-20-21-12-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,21)
InChIKeyDWKSFPSDYRFESD-UHFFFAOYSA-N
XLogP3.51
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 54587244) is (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is CC1(C)CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21.
What is the InChIKey of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DWKSFPSDYRFESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2)8-10-23(17-6-4-3-5-16(17)19)18(24)22-9-7-14(13-22)15-11-20-21-12-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,21).
What are the key properties of (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2,3-dihydroquinolin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 54587244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).