1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C12H16N2O — CID 23274016

IUPAC1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCC1CCc2nc3c(c(=O)n21)CCCC3
InChIInChI=1S/C12H16N2O/c1-8-6-7-11-13-10-5-3-2-4-9(10)12(15)14(8)11/h8H,2-7H2,1H3
InChIKeyICMPTKYJQLSSTN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.63
Rot. Bonds

About 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one

1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 23274016) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID23274016
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCC1CCc2nc3c(c(=O)n21)CCCC3
InChIInChI=1S/C12H16N2O/c1-8-6-7-11-13-10-5-3-2-4-9(10)12(15)14(8)11/h8H,2-7H2,1H3
InChIKeyICMPTKYJQLSSTN-UHFFFAOYSA-N
XLogP1.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 23274016) is 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one is CC1CCc2nc3c(c(=O)n21)CCCC3.
What is the InChIKey of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is ICMPTKYJQLSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-6-7-11-13-10-5-3-2-4-9(10)12(15)14(8)11/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 204.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 23274016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).