3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one

C19H20N4O2 — CID 56779375

IUPAC3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cnn(CC2CCCN2C(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H20N4O2/c1-13-10-20-22(11-13)12-15-6-4-8-23(15)19(25)16-9-14-5-2-3-7-17(14)21-18(16)24/h2-3,5,7,9-11,15H,4,6,8,12H2,1H3,(H,21,24)
InChIKeyOXIDKRYWIOSETA-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.34
Rot. Bonds3

About 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one

3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 56779375) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID56779375
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cnn(CC2CCCN2C(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H20N4O2/c1-13-10-20-22(11-13)12-15-6-4-8-23(15)19(25)16-9-14-5-2-3-7-17(14)21-18(16)24/h2-3,5,7,9-11,15H,4,6,8,12H2,1H3,(H,21,24)
InChIKeyOXIDKRYWIOSETA-UHFFFAOYSA-N
XLogP2.34
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 56779375) is 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one is Cc1cnn(CC2CCCN2C(=O)c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is OXIDKRYWIOSETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-10-20-22(11-13)12-15-6-4-8-23(15)19(25)16-9-14-5-2-3-7-17(14)21-18(16)24/h2-3,5,7,9-11,15H,4,6,8,12H2,1H3,(H,21,24).
What are the key properties of 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 56779375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).