2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol

C20H21ClN4O — CID 5113513

IUPAC2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)c(O)c1
InChIInChI=1S/C20H21ClN4O/c1-3-25(4-2)16-7-5-14(20(26)12-16)13-23-24-18-9-10-22-19-11-15(21)6-8-17(18)19/h5-13,26H,3-4H2,1-2H3,(H,22,24)
InChIKeyHGRBFODIGYAYGZ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.89
Rot. Bonds6

About 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol

2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol (PubChem CID 5113513) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
PubChem CID5113513
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)c(O)c1
InChIInChI=1S/C20H21ClN4O/c1-3-25(4-2)16-7-5-14(20(26)12-16)13-23-24-18-9-10-22-19-11-15(21)6-8-17(18)19/h5-13,26H,3-4H2,1-2H3,(H,22,24)
InChIKeyHGRBFODIGYAYGZ-UHFFFAOYSA-N
XLogP4.89
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.89
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-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol (CID 5113513) is 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)c(O)c1.
What is the InChIKey of 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
The InChIKey is HGRBFODIGYAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-3-25(4-2)16-7-5-14(20(26)12-16)13-23-24-18-9-10-22-19-11-15(21)6-8-17(18)19/h5-13,26H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol?
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol has a molecular weight of 368.87 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol is sourced from PubChem (CID 5113513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).