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

C17H15ClN4O3 — CID 171151221

IUPAC2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
SMILESCc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12.Cl
InChIInChI=1S/C17H14N4O3.ClH/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);1H
InChIKeyFSPUOCCKCNOIJY-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.02
Rot. Bonds4

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

2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride (PubChem CID 171151221) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride.

Molecular Properties

Compound Name2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
PubChem CID171151221
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
SMILESCc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12.Cl
InChIInChI=1S/C17H14N4O3.ClH/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);1H
InChIKeyFSPUOCCKCNOIJY-UHFFFAOYSA-N
XLogP4.02
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.02
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

4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride?
The IUPAC name of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride (CID 171151221) is 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride.
What is the SMILES notation for 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride?
The canonical SMILES for 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride is Cc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12.Cl.
What is the InChIKey of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride?
The InChIKey is FSPUOCCKCNOIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3.ClH/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);1H.
What are the key properties of 2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride?
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride has a molecular weight of 358.79 g/mol, XLogP of 4.02, 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;hydrochloride is sourced from PubChem (CID 171151221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).