1,4-dihydrocinnoline-3-carboxamide

C9H9N3O — CID 89488253

IUPAC1,4-dihydrocinnoline-3-carboxamide
SMILESNC(=O)C1=NNc2ccccc2C1
InChIInChI=1S/C9H9N3O/c10-9(13)8-5-6-3-1-2-4-7(6)11-12-8/h1-4,11H,5H2,(H2,10,13)
InChIKeyVREVBHMMPSREDI-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.50
Rot. Bonds1

About 1,4-dihydrocinnoline-3-carboxamide

1,4-dihydrocinnoline-3-carboxamide (PubChem CID 89488253) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1,4-dihydrocinnoline-3-carboxamide.

Molecular Properties

Compound Name1,4-dihydrocinnoline-3-carboxamide
PubChem CID89488253
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1,4-dihydrocinnoline-3-carboxamide
SMILESNC(=O)C1=NNc2ccccc2C1
InChIInChI=1S/C9H9N3O/c10-9(13)8-5-6-3-1-2-4-7(6)11-12-8/h1-4,11H,5H2,(H2,10,13)
InChIKeyVREVBHMMPSREDI-UHFFFAOYSA-N
XLogP0.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrocinnoline-3-carboxamide?
The IUPAC name of 1,4-dihydrocinnoline-3-carboxamide (CID 89488253) is 1,4-dihydrocinnoline-3-carboxamide.
What is the SMILES notation for 1,4-dihydrocinnoline-3-carboxamide?
The canonical SMILES for 1,4-dihydrocinnoline-3-carboxamide is NC(=O)C1=NNc2ccccc2C1.
What is the InChIKey of 1,4-dihydrocinnoline-3-carboxamide?
The InChIKey is VREVBHMMPSREDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9(13)8-5-6-3-1-2-4-7(6)11-12-8/h1-4,11H,5H2,(H2,10,13).
What are the key properties of 1,4-dihydrocinnoline-3-carboxamide?
1,4-dihydrocinnoline-3-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrocinnoline-3-carboxamide is sourced from PubChem (CID 89488253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).