(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine

C14H18ClN3O2 — CID 62250401

IUPAC(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCOc1cc(OC)c2nc(C(C)C)cc(NN)c2c1Cl
InChIInChI=1S/C14H18ClN3O2/c1-7(2)8-5-9(18-16)12-13(15)10(19-3)6-11(20-4)14(12)17-8/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyRQAACOAEYHJHFU-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.31
Rot. Bonds4

About (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine

(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 62250401) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID62250401
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCOc1cc(OC)c2nc(C(C)C)cc(NN)c2c1Cl
InChIInChI=1S/C14H18ClN3O2/c1-7(2)8-5-9(18-16)12-13(15)10(19-3)6-11(20-4)14(12)17-8/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyRQAACOAEYHJHFU-UHFFFAOYSA-N
XLogP3.31
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine (CID 62250401) is (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine is COc1cc(OC)c2nc(C(C)C)cc(NN)c2c1Cl.
What is the InChIKey of (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is RQAACOAEYHJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-7(2)8-5-9(18-16)12-13(15)10(19-3)6-11(20-4)14(12)17-8/h5-7H,16H2,1-4H3,(H,17,18).
What are the key properties of (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine?
(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 295.77 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62250401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).