2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol

C17H14N4O3 — CID 3317027

IUPAC2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESCc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12
InChIInChI=1S/C17H14N4O3/c1-11-8-17(19-15-5-3-2-4-14(11)15)20-18-10-12-9-13(21(23)24)6-7-16(12)22/h2-10,22H,1H3,(H,19,20)
InChIKeyRTNKOEYFZSTPKM-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.60
Rot. Bonds4

About 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol

2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 3317027) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID3317027
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESCc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12
InChIInChI=1S/C17H14N4O3/c1-11-8-17(19-15-5-3-2-4-14(11)15)20-18-10-12-9-13(21(23)24)6-7-16(12)22/h2-10,22H,1H3,(H,19,20)
InChIKeyRTNKOEYFZSTPKM-UHFFFAOYSA-N
XLogP3.60
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-3-(hydroxy(oxido)amino)benzaldehyde 2-quinolinylhydrazone
CID 3246517
2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol
CID 135443554
1-(2-Hydroxyphenyl)ethanone 2-quinolinylhydrazone
CID 297344
2-Hydroxybenzaldehyde methyl(2-quinolinyl)hydrazone
CID 297345
4-Nitro-2-[(4-phenyl-6-p-tolyl-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135443155
4-Nitro-2-[(E)-[2-(pyridin-2-YL)hydrazin-1-ylidene]methyl]phenol
CID 135504329
4-Hydroxybenzaldehyde (3,7-dimethyl-2-quinolinyl)hydrazone
CID 135504347
4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135527016
2-nitro-6-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol
CID 135443556
2-Hydroxybenzaldehyde (3-methyl-2-quinoxalinyl)hydrazone
CID 135411506
4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135468562
4-nitro-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
CID 136249386

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol (CID 3317027) is 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol is Cc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12.
What is the InChIKey of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is RTNKOEYFZSTPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-11-8-17(19-15-5-3-2-4-14(11)15)20-18-10-12-9-13(21(23)24)6-7-16(12)22/h2-10,22H,1H3,(H,19,20).
What are the key properties of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 322.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 3317027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).