1H-indazole;quinoline

C16H13N3 — CID 67837536

IUPAC1H-indazole;quinoline
SMILESc1ccc2[nH]ncc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)5-8-9-7/h1-7H;1-5H,(H,8,9)
InChIKeyAMODFWGMOQRQSH-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.80
Rot. Bonds

About 1H-indazole;quinoline

1H-indazole;quinoline (PubChem CID 67837536) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1H-indazole;quinoline.

Molecular Properties

Compound Name1H-indazole;quinoline
PubChem CID67837536
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name1H-indazole;quinoline
SMILESc1ccc2[nH]ncc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)5-8-9-7/h1-7H;1-5H,(H,8,9)
InChIKeyAMODFWGMOQRQSH-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;quinoline?
The IUPAC name of 1H-indazole;quinoline (CID 67837536) is 1H-indazole;quinoline.
What is the SMILES notation for 1H-indazole;quinoline?
The canonical SMILES for 1H-indazole;quinoline is c1ccc2[nH]ncc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 1H-indazole;quinoline?
The InChIKey is AMODFWGMOQRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)5-8-9-7/h1-7H;1-5H,(H,8,9).
What are the key properties of 1H-indazole;quinoline?
1H-indazole;quinoline has a molecular weight of 247.30 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;quinoline is sourced from PubChem (CID 67837536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).