2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one

C19H18F2N4O2 — CID 8983820

IUPAC2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(N/N=C(/C)c2cccc(OC(F)F)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H18F2N4O2/c1-3-25-17(26)15-9-4-5-10-16(15)22-19(25)24-23-12(2)13-7-6-8-14(11-13)27-18(20)21/h4-11,18H,3H2,1-2H3,(H,22,24)/b23-12-
InChIKeyPRXVJWKNJHHCOR-FMCGGJTJSA-N
MW372.38 g/mol
LogP3.85
Rot. Bonds6

About 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one

2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one (PubChem CID 8983820) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
PubChem CID8983820
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(N/N=C(/C)c2cccc(OC(F)F)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H18F2N4O2/c1-3-25-17(26)15-9-4-5-10-16(15)22-19(25)24-23-12(2)13-7-6-8-14(11-13)27-18(20)21/h4-11,18H,3H2,1-2H3,(H,22,24)/b23-12-
InChIKeyPRXVJWKNJHHCOR-FMCGGJTJSA-N
XLogP3.85
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one (CID 8983820) is 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one is CCn1c(N/N=C(/C)c2cccc(OC(F)F)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The InChIKey is PRXVJWKNJHHCOR-FMCGGJTJSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-3-25-17(26)15-9-4-5-10-16(15)22-19(25)24-23-12(2)13-7-6-8-14(11-13)27-18(20)21/h4-11,18H,3H2,1-2H3,(H,22,24)/b23-12-.
What are the key properties of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one?
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one has a molecular weight of 372.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 8983820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).