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

C11H10ClN3 — CID 18992521

IUPAC3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCC2Cl
InChIInChI=1S/C11H10ClN3/c12-8-5-6-15-10(13)7-3-1-2-4-9(7)14-11(8)15/h1-4,8,13H,5-6H2/b13-10+
InChIKeyCDNRNOKCGJORDX-JLHYYAGUSA-N
MW219.68 g/mol
LogP2.20
Rot. Bonds

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

3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine (PubChem CID 18992521) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine.

Molecular Properties

Compound Name3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
PubChem CID18992521
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCC2Cl
InChIInChI=1S/C11H10ClN3/c12-8-5-6-15-10(13)7-3-1-2-4-9(7)14-11(8)15/h1-4,8,13H,5-6H2/b13-10+
InChIKeyCDNRNOKCGJORDX-JLHYYAGUSA-N
XLogP2.20
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The IUPAC name of 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine (CID 18992521) is 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine.
What is the SMILES notation for 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The canonical SMILES for 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine is [H]/N=c1\c2ccccc2nc2n1CCC2Cl.
What is the InChIKey of 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
The InChIKey is CDNRNOKCGJORDX-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-8-5-6-15-10(13)7-3-1-2-4-9(7)14-11(8)15/h1-4,8,13H,5-6H2/b13-10+.
What are the key properties of 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine?
3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine has a molecular weight of 219.68 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine is sourced from PubChem (CID 18992521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).