2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol

C22H17ClN4O2 — CID 135650334

IUPAC2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1O
InChIInChI=1S/C22H17ClN4O2/c1-29-19-8-4-5-15(20(19)28)13-24-27-22-17-6-2-3-7-18(17)25-21(26-22)14-9-11-16(23)12-10-14/h2-13,28H,1H3,(H,25,26,27)/b24-13+
InChIKeyCMDIFHILGNCBOO-ZMOGYAJESA-N
MW404.86 g/mol
LogP5.11
Rot. Bonds5

About 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135650334) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135650334
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1O
InChIInChI=1S/C22H17ClN4O2/c1-29-19-8-4-5-15(20(19)28)13-24-27-22-17-6-2-3-7-18(17)25-21(26-22)14-9-11-16(23)12-10-14/h2-13,28H,1H3,(H,25,26,27)/b24-13+
InChIKeyCMDIFHILGNCBOO-ZMOGYAJESA-N
XLogP5.11
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 55.11
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
CID 21234889
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135630204
2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
CID 135956141
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol (CID 135650334) is 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1O.
What is the InChIKey of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is CMDIFHILGNCBOO-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-29-19-8-4-5-15(20(19)28)13-24-27-22-17-6-2-3-7-18(17)25-21(26-22)14-9-11-16(23)12-10-14/h2-13,28H,1H3,(H,25,26,27)/b24-13+.
What are the key properties of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 404.86 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135650334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).