1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one

C20H17N5O3 — CID 135688806

IUPAC1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
SMILESCCn1c(=O)c(-c2[nH][nH]c(=O)c2/C=N/c2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C20H17N5O3/c1-2-25-14-8-4-3-7-12(14)18(26)16(20(25)28)17-13(19(27)24-23-17)11-22-15-9-5-6-10-21-15/h3-11,26H,2H2,1H3,(H2,23,24,27)/b22-11+
InChIKeyAOEGSSBYVGEJAE-SSDVNMTOSA-N
MW375.39 g/mol
LogP2.56
Rot. Bonds4

About 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one

1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one (PubChem CID 135688806) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
PubChem CID135688806
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
SMILESCCn1c(=O)c(-c2[nH][nH]c(=O)c2/C=N/c2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C20H17N5O3/c1-2-25-14-8-4-3-7-12(14)18(26)16(20(25)28)17-13(19(27)24-23-17)11-22-15-9-5-6-10-21-15/h3-11,26H,2H2,1H3,(H2,23,24,27)/b22-11+
InChIKeyAOEGSSBYVGEJAE-SSDVNMTOSA-N
XLogP2.56
TPSA116.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one (CID 135688806) is 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one is CCn1c(=O)c(-c2[nH][nH]c(=O)c2/C=N/c2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one?
The InChIKey is AOEGSSBYVGEJAE-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-2-25-14-8-4-3-7-12(14)18(26)16(20(25)28)17-13(19(27)24-23-17)11-22-15-9-5-6-10-21-15/h3-11,26H,2H2,1H3,(H2,23,24,27)/b22-11+.
What are the key properties of 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one?
1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one has a molecular weight of 375.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one is sourced from PubChem (CID 135688806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).