3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one

C18H19N5O2 — CID 154748908

IUPAC3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one
SMILESCn1ccc(N2CCC(NCc3cc4ccccc4[nH]c3=O)C2=O)n1
InChIInChI=1S/C18H19N5O2/c1-22-8-7-16(21-22)23-9-6-15(18(23)25)19-11-13-10-12-4-2-3-5-14(12)20-17(13)24/h2-5,7-8,10,15,19H,6,9,11H2,1H3,(H,20,24)
InChIKeyCBFADFUPLGZPNI-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.16
Rot. Bonds4

About 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one

3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 154748908) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID154748908
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one
SMILESCn1ccc(N2CCC(NCc3cc4ccccc4[nH]c3=O)C2=O)n1
InChIInChI=1S/C18H19N5O2/c1-22-8-7-16(21-22)23-9-6-15(18(23)25)19-11-13-10-12-4-2-3-5-14(12)20-17(13)24/h2-5,7-8,10,15,19H,6,9,11H2,1H3,(H,20,24)
InChIKeyCBFADFUPLGZPNI-UHFFFAOYSA-N
XLogP1.16
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one (CID 154748908) is 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one is Cn1ccc(N2CCC(NCc3cc4ccccc4[nH]c3=O)C2=O)n1.
What is the InChIKey of 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is CBFADFUPLGZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-8-7-16(21-22)23-9-6-15(18(23)25)19-11-13-10-12-4-2-3-5-14(12)20-17(13)24/h2-5,7-8,10,15,19H,6,9,11H2,1H3,(H,20,24).
What are the key properties of 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one?
3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 337.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 154748908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).