1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium

C14H12N3O+ — CID 174750339

IUPAC1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium
SMILESc1c[nH+]c2c(c1)ccc1[nH]ccc12.c1cocn1
InChIInChI=1S/C11H8N2.C3H3NO/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1;1-2-5-3-4-1/h1-7,12H;1-3H/p+1
InChIKeyAVZCAYQHEMPPJA-UHFFFAOYSA-O
MW238.27 g/mol
LogP2.81
Rot. Bonds

About 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium

1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium (PubChem CID 174750339) has the molecular formula C14H12N3O+ and a molecular weight of 238.27 g/mol. Its IUPAC name is 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium.

Molecular Properties

Compound Name1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium
PubChem CID174750339
Molecular FormulaC14H12N3O+
Molecular Weight238.27 g/mol
Exact Mass238.10
IUPAC Name1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium
SMILESc1c[nH+]c2c(c1)ccc1[nH]ccc12.c1cocn1
InChIInChI=1S/C11H8N2.C3H3NO/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1;1-2-5-3-4-1/h1-7,12H;1-3H/p+1
InChIKeyAVZCAYQHEMPPJA-UHFFFAOYSA-O
XLogP2.81
TPSA55.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium?
The IUPAC name of 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium (CID 174750339) is 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium.
What is the SMILES notation for 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium?
The canonical SMILES for 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium is c1c[nH+]c2c(c1)ccc1[nH]ccc12.c1cocn1.
What is the InChIKey of 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium?
The InChIKey is AVZCAYQHEMPPJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8N2.C3H3NO/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1;1-2-5-3-4-1/h1-7,12H;1-3H/p+1.
What are the key properties of 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium?
1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium has a molecular weight of 238.27 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;7H-pyrrolo[2,3-h]quinolin-1-ium is sourced from PubChem (CID 174750339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).