4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one

C15H16ClN3O — CID 156537336

IUPAC4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
SMILESCCN1C(=O)C(C)(C)c2cc3c(Cl)nc(C)nc3cc21
InChIInChI=1S/C15H16ClN3O/c1-5-19-12-7-11-9(13(16)18-8(2)17-11)6-10(12)15(3,4)14(19)20/h6-7H,5H2,1-4H3
InChIKeyVSFOVOFBSFUKEQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.24
Rot. Bonds1

About 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one

4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one (PubChem CID 156537336) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one.

Molecular Properties

Compound Name4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
PubChem CID156537336
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
SMILESCCN1C(=O)C(C)(C)c2cc3c(Cl)nc(C)nc3cc21
InChIInChI=1S/C15H16ClN3O/c1-5-19-12-7-11-9(13(16)18-8(2)17-11)6-10(12)15(3,4)14(19)20/h6-7H,5H2,1-4H3
InChIKeyVSFOVOFBSFUKEQ-UHFFFAOYSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one 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 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one?
The IUPAC name of 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one (CID 156537336) is 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one.
What is the SMILES notation for 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one?
The canonical SMILES for 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one is CCN1C(=O)C(C)(C)c2cc3c(Cl)nc(C)nc3cc21.
What is the InChIKey of 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one?
The InChIKey is VSFOVOFBSFUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-5-19-12-7-11-9(13(16)18-8(2)17-11)6-10(12)15(3,4)14(19)20/h6-7H,5H2,1-4H3.
What are the key properties of 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one?
4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one has a molecular weight of 289.77 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one is sourced from PubChem (CID 156537336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).