2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol

C18H17N3O2 — CID 135614725

IUPAC2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc2c(C)cc(N/N=C/c3ccccc3O)nc2c1
InChIInChI=1S/C18H17N3O2/c1-12-9-18(20-16-10-14(23-2)7-8-15(12)16)21-19-11-13-5-3-4-6-17(13)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyNSBGZFQWNYKINF-YBFXNURJSA-N
MW307.35 g/mol
LogP3.70
Rot. Bonds4

About 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135614725) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135614725
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc2c(C)cc(N/N=C/c3ccccc3O)nc2c1
InChIInChI=1S/C18H17N3O2/c1-12-9-18(20-16-10-14(23-2)7-8-15(12)16)21-19-11-13-5-3-4-6-17(13)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyNSBGZFQWNYKINF-YBFXNURJSA-N
XLogP3.70
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol (CID 135614725) is 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol is COc1ccc2c(C)cc(N/N=C/c3ccccc3O)nc2c1.
What is the InChIKey of 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NSBGZFQWNYKINF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-9-18(20-16-10-14(23-2)7-8-15(12)16)21-19-11-13-5-3-4-6-17(13)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 307.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135614725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).