1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one

C12H10N2O — CID 90154794

IUPAC1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCc1ccc2[nH]c(=O)c3ccccc3n12
InChIInChI=1S/C12H10N2O/c1-8-6-7-11-13-12(15)9-4-2-3-5-10(9)14(8)11/h2-7H,1H3,(H,13,15)
InChIKeyCQDIJBCPNAJLCA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.09
Rot. Bonds

About 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one

1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 90154794) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID90154794
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCc1ccc2[nH]c(=O)c3ccccc3n12
InChIInChI=1S/C12H10N2O/c1-8-6-7-11-13-12(15)9-4-2-3-5-10(9)14(8)11/h2-7H,1H3,(H,13,15)
InChIKeyCQDIJBCPNAJLCA-UHFFFAOYSA-N
XLogP2.09
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 90154794) is 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one is Cc1ccc2[nH]c(=O)c3ccccc3n12.
What is the InChIKey of 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is CQDIJBCPNAJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-6-7-11-13-12(15)9-4-2-3-5-10(9)14(8)11/h2-7H,1H3,(H,13,15).
What are the key properties of 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one?
1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 198.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 90154794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).