2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile

C19H18ClN5O2 — CID 154468806

IUPAC2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile
SMILESCCn1c(=O)c2cc(NNc3ccc(C#N)c(Cl)c3)ccc2n(CC)c1=O
InChIInChI=1S/C19H18ClN5O2/c1-3-24-17-8-7-13(9-15(17)18(26)25(4-2)19(24)27)22-23-14-6-5-12(11-21)16(20)10-14/h5-10,22-23H,3-4H2,1-2H3
InChIKeyRPZOXQQCNHUPDT-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile

2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile (PubChem CID 154468806) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile
PubChem CID154468806
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile
SMILESCCn1c(=O)c2cc(NNc3ccc(C#N)c(Cl)c3)ccc2n(CC)c1=O
InChIInChI=1S/C19H18ClN5O2/c1-3-24-17-8-7-13(9-15(17)18(26)25(4-2)19(24)27)22-23-14-6-5-12(11-21)16(20)10-14/h5-10,22-23H,3-4H2,1-2H3
InChIKeyRPZOXQQCNHUPDT-UHFFFAOYSA-N
XLogP3.17
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile (CID 154468806) is 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile is CCn1c(=O)c2cc(NNc3ccc(C#N)c(Cl)c3)ccc2n(CC)c1=O.
What is the InChIKey of 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile?
The InChIKey is RPZOXQQCNHUPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-3-24-17-8-7-13(9-15(17)18(26)25(4-2)19(24)27)22-23-14-6-5-12(11-21)16(20)10-14/h5-10,22-23H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile?
2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile has a molecular weight of 383.84 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile is sourced from PubChem (CID 154468806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).