(5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine

C16H14ClN3O — CID 63482977

IUPAC(5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine
SMILESCc1cc(NN)c2c(Cl)ccc(Oc3ccccc3)c2n1
InChIInChI=1S/C16H14ClN3O/c1-10-9-13(20-18)15-12(17)7-8-14(16(15)19-10)21-11-5-3-2-4-6-11/h2-9H,18H2,1H3,(H,19,20)
InChIKeyJSIXNBYZGJWQSZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.27
Rot. Bonds3

About (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine

(5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine (PubChem CID 63482977) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine
PubChem CID63482977
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine
SMILESCc1cc(NN)c2c(Cl)ccc(Oc3ccccc3)c2n1
InChIInChI=1S/C16H14ClN3O/c1-10-9-13(20-18)15-12(17)7-8-14(16(15)19-10)21-11-5-3-2-4-6-11/h2-9H,18H2,1H3,(H,19,20)
InChIKeyJSIXNBYZGJWQSZ-UHFFFAOYSA-N
XLogP4.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-8-phenoxyquinoline
CID 2767025
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
8-(2,6-Dichlorobenzyloxy)-2-methylquinoline
CID 22113261
7-(4-Chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 44537308
4-Hydrazino-8-methoxy-2-methylquinoline
CID 460140
8-(Benzyloxy)-5-Chloroquinoline
CID 18968588
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 713377
Cambridge id 6813803
CID 2790769
3-[(4-Chlorophenyl)methoxy]-2-methylquinoline
CID 3375760
N-[(2-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537107
N-[(2-chlorophenyl)methylideneamino]-6-ethoxy-2-methylquinolin-4-amine
CID 44537117

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine?
The IUPAC name of (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine (CID 63482977) is (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine.
What is the SMILES notation for (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine?
The canonical SMILES for (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine is Cc1cc(NN)c2c(Cl)ccc(Oc3ccccc3)c2n1.
What is the InChIKey of (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine?
The InChIKey is JSIXNBYZGJWQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-9-13(20-18)15-12(17)7-8-14(16(15)19-10)21-11-5-3-2-4-6-11/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine?
(5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine has a molecular weight of 299.76 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methyl-8-phenoxyquinolin-4-yl)hydrazine is sourced from PubChem (CID 63482977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).