8-nitro-1,8a-dihydroquinoline-7-carboxamide

C10H9N3O3 — CID 126516565

IUPAC8-nitro-1,8a-dihydroquinoline-7-carboxamide
SMILESNC(=O)C1=C([N+](=O)[O-])C2NC=CC=C2C=C1
InChIInChI=1S/C10H9N3O3/c11-10(14)7-4-3-6-2-1-5-12-8(6)9(7)13(15)16/h1-5,8,12H,(H2,11,14)
InChIKeyFVICRNBZQYUWSY-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.02
Rot. Bonds2

About 8-nitro-1,8a-dihydroquinoline-7-carboxamide

8-nitro-1,8a-dihydroquinoline-7-carboxamide (PubChem CID 126516565) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 8-nitro-1,8a-dihydroquinoline-7-carboxamide.

Molecular Properties

Compound Name8-nitro-1,8a-dihydroquinoline-7-carboxamide
PubChem CID126516565
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name8-nitro-1,8a-dihydroquinoline-7-carboxamide
SMILESNC(=O)C1=C([N+](=O)[O-])C2NC=CC=C2C=C1
InChIInChI=1S/C10H9N3O3/c11-10(14)7-4-3-6-2-1-5-12-8(6)9(7)13(15)16/h1-5,8,12H,(H2,11,14)
InChIKeyFVICRNBZQYUWSY-UHFFFAOYSA-N
XLogP-0.02
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-nitro-1,8a-dihydroquinoline-7-carboxamide?
The IUPAC name of 8-nitro-1,8a-dihydroquinoline-7-carboxamide (CID 126516565) is 8-nitro-1,8a-dihydroquinoline-7-carboxamide.
What is the SMILES notation for 8-nitro-1,8a-dihydroquinoline-7-carboxamide?
The canonical SMILES for 8-nitro-1,8a-dihydroquinoline-7-carboxamide is NC(=O)C1=C([N+](=O)[O-])C2NC=CC=C2C=C1.
What is the InChIKey of 8-nitro-1,8a-dihydroquinoline-7-carboxamide?
The InChIKey is FVICRNBZQYUWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10(14)7-4-3-6-2-1-5-12-8(6)9(7)13(15)16/h1-5,8,12H,(H2,11,14).
What are the key properties of 8-nitro-1,8a-dihydroquinoline-7-carboxamide?
8-nitro-1,8a-dihydroquinoline-7-carboxamide has a molecular weight of 219.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-1,8a-dihydroquinoline-7-carboxamide is sourced from PubChem (CID 126516565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).