7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C12H12N2O — CID 730195

IUPAC7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCC3
InChIInChI=1S/C12H12N2O/c1-8-4-5-10-9(7-8)12(15)14-6-2-3-11(14)13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyWGMDMAZNZCEADV-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.65
Rot. Bonds

About 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 730195) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID730195
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCC3
InChIInChI=1S/C12H12N2O/c1-8-4-5-10-9(7-8)12(15)14-6-2-3-11(14)13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyWGMDMAZNZCEADV-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 730195) is 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is Cc1ccc2nc3n(c(=O)c2c1)CCC3.
What is the InChIKey of 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is WGMDMAZNZCEADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-4-5-10-9(7-8)12(15)14-6-2-3-11(14)13-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 200.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 730195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).