1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid

C12H8N2O2 — CID 96613315

IUPAC1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cnc2c(ccc3cc[nH]c32)c1
InChIInChI=1S/C12H8N2O2/c15-12(16)9-5-8-2-1-7-3-4-13-10(7)11(8)14-6-9/h1-6,13H,(H,15,16)
InChIKeyHTYSMBVLDAQOTR-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.41
Rot. Bonds1

About 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid

1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid (PubChem CID 96613315) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid
PubChem CID96613315
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cnc2c(ccc3cc[nH]c32)c1
InChIInChI=1S/C12H8N2O2/c15-12(16)9-5-8-2-1-7-3-4-13-10(7)11(8)14-6-9/h1-6,13H,(H,15,16)
InChIKeyHTYSMBVLDAQOTR-UHFFFAOYSA-N
XLogP2.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid?
The IUPAC name of 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid (CID 96613315) is 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid?
The canonical SMILES for 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid is O=C(O)c1cnc2c(ccc3cc[nH]c32)c1.
What is the InChIKey of 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid?
The InChIKey is HTYSMBVLDAQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12(16)9-5-8-2-1-7-3-4-13-10(7)11(8)14-6-9/h1-6,13H,(H,15,16).
What are the key properties of 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid?
1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 96613315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).