2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline

C10H11N3 — CID 66690157

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline
SMILESC1=c2ncncc2=C2NCCC2C1
InChIInChI=1S/C10H11N3/c1-2-9-8(5-11-6-13-9)10-7(1)3-4-12-10/h2,5-7,12H,1,3-4H2
InChIKeyHVEDHJOKDBRFRO-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.62
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline

2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline (PubChem CID 66690157) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline
PubChem CID66690157
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline
SMILESC1=c2ncncc2=C2NCCC2C1
InChIInChI=1S/C10H11N3/c1-2-9-8(5-11-6-13-9)10-7(1)3-4-12-10/h2,5-7,12H,1,3-4H2
InChIKeyHVEDHJOKDBRFRO-UHFFFAOYSA-N
XLogP-0.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline (CID 66690157) is 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline is C1=c2ncncc2=C2NCCC2C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline?
The InChIKey is HVEDHJOKDBRFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-9-8(5-11-6-13-9)10-7(1)3-4-12-10/h2,5-7,12H,1,3-4H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline?
2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline has a molecular weight of 173.22 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-f]quinazoline is sourced from PubChem (CID 66690157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).