1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol

C22H16ClN3O — CID 135900226

IUPAC1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1ccc2nc(Cl)c(/C=N/N=C/c3c(O)ccc4ccccc34)cc2c1
InChIInChI=1S/C22H16ClN3O/c1-14-6-8-20-16(10-14)11-17(22(23)26-20)12-24-25-13-19-18-5-3-2-4-15(18)7-9-21(19)27/h2-13,27H,1H3/b24-12+,25-13+
InChIKeyXFVONYJOIPNYAK-DWGHPKEWSA-N
MW373.84 g/mol
LogP5.51
Rot. Bonds3

About 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135900226) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135900226
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1ccc2nc(Cl)c(/C=N/N=C/c3c(O)ccc4ccccc34)cc2c1
InChIInChI=1S/C22H16ClN3O/c1-14-6-8-20-16(10-14)11-17(22(23)26-20)12-24-25-13-19-18-5-3-2-4-15(18)7-9-21(19)27/h2-13,27H,1H3/b24-12+,25-13+
InChIKeyXFVONYJOIPNYAK-DWGHPKEWSA-N
XLogP5.51
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol (CID 135900226) is 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol is Cc1ccc2nc(Cl)c(/C=N/N=C/c3c(O)ccc4ccccc34)cc2c1.
What is the InChIKey of 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is XFVONYJOIPNYAK-DWGHPKEWSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-14-6-8-20-16(10-14)11-17(22(23)26-20)12-24-25-13-19-18-5-3-2-4-15(18)7-9-21(19)27/h2-13,27H,1H3/b24-12+,25-13+.
What are the key properties of 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 373.84 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135900226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).