2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline

C10H9N3 — CID 118072746

IUPAC2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline
SMILESC1=CC2=CCC3=C(NCN=C3)C2=N1
InChIInChI=1S/C10H9N3/c1-2-8-5-11-6-13-10(8)9-7(1)3-4-12-9/h1,3-5,13H,2,6H2
InChIKeyCEYKYGAGLNHXTP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.17
Rot. Bonds

About 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline

2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline (PubChem CID 118072746) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline
PubChem CID118072746
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline
SMILESC1=CC2=CCC3=C(NCN=C3)C2=N1
InChIInChI=1S/C10H9N3/c1-2-8-5-11-6-13-10(8)9-7(1)3-4-12-9/h1,3-5,13H,2,6H2
InChIKeyCEYKYGAGLNHXTP-UHFFFAOYSA-N
XLogP1.17
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazo[4,5-f]quinoline
CID 164569
1H-Pyrrolo[2,3-f]quinoline
CID 135645806
1H-pyrrolo[3,2-h]quinolin-8-amine
CID 928266
7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-
CID 135530303
Cyclopentaquinoxaline
CID 87519722
8H-pyrrolo[3,4-f][1,10]phenanthroline
CID 135415051
Pyrrolo[3,4-f]quinoline
CID 135463236
1H-Imidazo[4,5-f][1,10]phenanthroline
CID 135894299
9H-Pyrrolo[2,3-f]quinoxaline
CID 136219612
4,5-Dihydropyrroloquinoxaline
CID 138756856
Cyclopenta[a][4,7]phenanthroline
CID 129753063

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline?
The IUPAC name of 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline (CID 118072746) is 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline.
What is the SMILES notation for 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline?
The canonical SMILES for 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline is C1=CC2=CCC3=C(NCN=C3)C2=N1.
What is the InChIKey of 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline?
The InChIKey is CEYKYGAGLNHXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-8-5-11-6-13-10(8)9-7(1)3-4-12-9/h1,3-5,13H,2,6H2.
What are the key properties of 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline?
2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline has a molecular weight of 171.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrolo[3,2-h]quinazoline is sourced from PubChem (CID 118072746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).