2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine

C11H11N3 — CID 21094663

IUPAC2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCC2
InChIInChI=1S/C11H11N3/c12-11-8-4-1-2-5-9(8)13-10-6-3-7-14(10)11/h1-2,4-5,12H,3,6-7H2/b12-11+
InChIKeyAOSPPBURKIEYRC-VAWYXSNFSA-N
MW185.23 g/mol
LogP1.46
Rot. Bonds

About 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine

2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine (PubChem CID 21094663) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
PubChem CID21094663
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCC2
InChIInChI=1S/C11H11N3/c12-11-8-4-1-2-5-9(8)13-10-6-3-7-14(10)11/h1-2,4-5,12H,3,6-7H2/b12-11+
InChIKeyAOSPPBURKIEYRC-VAWYXSNFSA-N
XLogP1.46
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine (CID 21094663) is 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine is [H]/N=c1\c2ccccc2nc2n1CCC2.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The InChIKey is AOSPPBURKIEYRC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H11N3/c12-11-8-4-1-2-5-9(8)13-10-6-3-7-14(10)11/h1-2,4-5,12H,3,6-7H2/b12-11+.
What are the key properties of 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine has a molecular weight of 185.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine is sourced from PubChem (CID 21094663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).