N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide

C16H12ClFN4O — CID 42864299

IUPACN'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide
SMILESCc1ccc2nc(Cl)nc(NNC(=O)c3ccccc3F)c2c1
InChIInChI=1S/C16H12ClFN4O/c1-9-6-7-13-11(8-9)14(20-16(17)19-13)21-22-15(23)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,22,23)(H,19,20,21)
InChIKeyKWEAYEPVBRESBU-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.49
Rot. Bonds3

About N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide

N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide (PubChem CID 42864299) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide
PubChem CID42864299
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC NameN'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide
SMILESCc1ccc2nc(Cl)nc(NNC(=O)c3ccccc3F)c2c1
InChIInChI=1S/C16H12ClFN4O/c1-9-6-7-13-11(8-9)14(20-16(17)19-13)21-22-15(23)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,22,23)(H,19,20,21)
InChIKeyKWEAYEPVBRESBU-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide?
The IUPAC name of N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide (CID 42864299) is N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide?
The canonical SMILES for N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide is Cc1ccc2nc(Cl)nc(NNC(=O)c3ccccc3F)c2c1.
What is the InChIKey of N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide?
The InChIKey is KWEAYEPVBRESBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c1-9-6-7-13-11(8-9)14(20-16(17)19-13)21-22-15(23)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide?
N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide has a molecular weight of 330.75 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide is sourced from PubChem (CID 42864299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).