formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one

C19H20N4O3 — CID 171339251

IUPACformic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc(-c2ccnn2C)nc2ccc(N3CCCC3=O)cc12.O=CO
InChIInChI=1S/C18H18N4O.CH2O2/c1-12-10-16(17-7-8-19-21(17)2)20-15-6-5-13(11-14(12)15)22-9-3-4-18(22)23;2-1-3/h5-8,10-11H,3-4,9H2,1-2H3;1H,(H,2,3)
InChIKeyNFTFJTASPQPBJP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.77
Rot. Bonds2

About formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one

formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one (PubChem CID 171339251) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Nameformic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
PubChem CID171339251
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameformic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc(-c2ccnn2C)nc2ccc(N3CCCC3=O)cc12.O=CO
InChIInChI=1S/C18H18N4O.CH2O2/c1-12-10-16(17-7-8-19-21(17)2)20-15-6-5-13(11-14(12)15)22-9-3-4-18(22)23;2-1-3/h5-8,10-11H,3-4,9H2,1-2H3;1H,(H,2,3)
InChIKeyNFTFJTASPQPBJP-UHFFFAOYSA-N
XLogP2.77
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
CID 170511746
1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
CID 169422309
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
CID 169416106
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492
4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
CID 169413934
1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
CID 171389313
1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 97444695
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one?
The IUPAC name of formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one (CID 171339251) is formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one is Cc1cc(-c2ccnn2C)nc2ccc(N3CCCC3=O)cc12.O=CO.
What is the InChIKey of formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one?
The InChIKey is NFTFJTASPQPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O.CH2O2/c1-12-10-16(17-7-8-19-21(17)2)20-15-6-5-13(11-14(12)15)22-9-3-4-18(22)23;2-1-3/h5-8,10-11H,3-4,9H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one?
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 171339251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).