4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C19H14N2O3 — CID 2854638

IUPAC4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C19H14N2O3/c22-18-11-17(13-5-3-6-14(10-13)21(23)24)16-9-8-12-4-1-2-7-15(12)19(16)20-18/h1-10,17H,11H2,(H,20,22)
InChIKeyPZEQKGJBRUUZSW-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.22
Rot. Bonds2

About 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 2854638) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID2854638
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C19H14N2O3/c22-18-11-17(13-5-3-6-14(10-13)21(23)24)16-9-8-12-4-1-2-7-15(12)19(16)20-18/h1-10,17H,11H2,(H,20,22)
InChIKeyPZEQKGJBRUUZSW-UHFFFAOYSA-N
XLogP4.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 2854638) is 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2N1.
What is the InChIKey of 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is PZEQKGJBRUUZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18-11-17(13-5-3-6-14(10-13)21(23)24)16-9-8-12-4-1-2-7-15(12)19(16)20-18/h1-10,17H,11H2,(H,20,22).
What are the key properties of 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 318.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 2854638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).