3-amino-6-nitro-4-phenyl-1H-quinolin-2-one

C15H11N3O3 — CID 5378140

IUPAC3-amino-6-nitro-4-phenyl-1H-quinolin-2-one
SMILESNc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O
InChIInChI=1S/C15H11N3O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,16H2,(H,17,19)
InChIKeyVBAGZJBCMMYDQZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.69
Rot. Bonds2

About 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one

3-amino-6-nitro-4-phenyl-1H-quinolin-2-one (PubChem CID 5378140) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-6-nitro-4-phenyl-1H-quinolin-2-one
PubChem CID5378140
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name3-amino-6-nitro-4-phenyl-1H-quinolin-2-one
SMILESNc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O
InChIInChI=1S/C15H11N3O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,16H2,(H,17,19)
InChIKeyVBAGZJBCMMYDQZ-UHFFFAOYSA-N
XLogP2.69
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.69
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 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one (CID 5378140) is 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one is Nc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O.
What is the InChIKey of 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one?
The InChIKey is VBAGZJBCMMYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,16H2,(H,17,19).
What are the key properties of 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one?
3-amino-6-nitro-4-phenyl-1H-quinolin-2-one has a molecular weight of 281.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 5378140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).