3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one

C20H18ClN3O — CID 59868246

IUPAC3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one
SMILESCc1c[nH]c2ccc3c(=O)n(-c4ccc(Cl)cc4)c(C(C)C)nc3c12
InChIInChI=1S/C20H18ClN3O/c1-11(2)19-23-18-15(8-9-16-17(18)12(3)10-22-16)20(25)24(19)14-6-4-13(21)5-7-14/h4-11,22H,1-3H3
InChIKeyOXHZSUMOIDXNCA-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.95
Rot. Bonds2

About 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one

3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one (PubChem CID 59868246) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one
PubChem CID59868246
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one
SMILESCc1c[nH]c2ccc3c(=O)n(-c4ccc(Cl)cc4)c(C(C)C)nc3c12
InChIInChI=1S/C20H18ClN3O/c1-11(2)19-23-18-15(8-9-16-17(18)12(3)10-22-16)20(25)24(19)14-6-4-13(21)5-7-14/h4-11,22H,1-3H3
InChIKeyOXHZSUMOIDXNCA-UHFFFAOYSA-N
XLogP4.95
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-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 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one (CID 59868246) is 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one is Cc1c[nH]c2ccc3c(=O)n(-c4ccc(Cl)cc4)c(C(C)C)nc3c12.
What is the InChIKey of 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one?
The InChIKey is OXHZSUMOIDXNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-11(2)19-23-18-15(8-9-16-17(18)12(3)10-22-16)20(25)24(19)14-6-4-13(21)5-7-14/h4-11,22H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one?
3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one has a molecular weight of 351.84 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-9-methyl-2-propan-2-yl-7H-pyrrolo[2,3-h]quinazolin-4-one is sourced from PubChem (CID 59868246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).