4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one

C21H18N4O3 — CID 135821884

IUPAC4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
SMILESCc1cccc2c(N/N=C/c3c(O)c4cccc(C)c4[nH]c3=O)cc(=O)[nH]c12
InChIInChI=1S/C21H18N4O3/c1-11-5-3-7-13-16(9-17(26)23-18(11)13)25-22-10-15-20(27)14-8-4-6-12(2)19(14)24-21(15)28/h3-10H,1-2H3,(H2,23,25,26)(H2,24,27,28)/b22-10+
InChIKeyMIQYYEPAKRVVQR-LSHDLFTRSA-N
MW374.40 g/mol
LogP3.14
Rot. Bonds3

About 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one

4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one (PubChem CID 135821884) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
PubChem CID135821884
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
SMILESCc1cccc2c(N/N=C/c3c(O)c4cccc(C)c4[nH]c3=O)cc(=O)[nH]c12
InChIInChI=1S/C21H18N4O3/c1-11-5-3-7-13-16(9-17(26)23-18(11)13)25-22-10-15-20(27)14-8-4-6-12(2)19(14)24-21(15)28/h3-10H,1-2H3,(H2,23,25,26)(H2,24,27,28)/b22-10+
InChIKeyMIQYYEPAKRVVQR-LSHDLFTRSA-N
XLogP3.14
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one (CID 135821884) is 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one is Cc1cccc2c(N/N=C/c3c(O)c4cccc(C)c4[nH]c3=O)cc(=O)[nH]c12.
What is the InChIKey of 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The InChIKey is MIQYYEPAKRVVQR-LSHDLFTRSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-11-5-3-7-13-16(9-17(26)23-18(11)13)25-22-10-15-20(27)14-8-4-6-12(2)19(14)24-21(15)28/h3-10H,1-2H3,(H2,23,25,26)(H2,24,27,28)/b22-10+.
What are the key properties of 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one has a molecular weight of 374.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methyl-3-[(E)-[(8-methyl-2-oxo-1H-quinolin-4-yl)hydrazinylidene]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 135821884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).