7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one

C23H18N2O3 — CID 42597282

IUPAC7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
SMILESO=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)c1ccc3ccccc3c1N2
InChIInChI=1S/C23H18N2O3/c26-20-10-4-9-19-22(20)21(15-6-3-7-16(13-15)25(27)28)18-12-11-14-5-1-2-8-17(14)23(18)24-19/h1-3,5-8,11-13,21,24H,4,9-10H2
InChIKeyOZVSEQPYEHDFQE-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.31
Rot. Bonds2

About 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one

7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one (PubChem CID 42597282) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
PubChem CID42597282
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
SMILESO=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)c1ccc3ccccc3c1N2
InChIInChI=1S/C23H18N2O3/c26-20-10-4-9-19-22(20)21(15-6-3-7-16(13-15)25(27)28)18-12-11-14-5-1-2-8-17(14)23(18)24-19/h1-3,5-8,11-13,21,24H,4,9-10H2
InChIKeyOZVSEQPYEHDFQE-UHFFFAOYSA-N
XLogP5.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
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 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The IUPAC name of 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one (CID 42597282) is 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The canonical SMILES for 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one is O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)c1ccc3ccccc3c1N2.
What is the InChIKey of 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The InChIKey is OZVSEQPYEHDFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-20-10-4-9-19-22(20)21(15-6-3-7-16(13-15)25(27)28)18-12-11-14-5-1-2-8-17(14)23(18)24-19/h1-3,5-8,11-13,21,24H,4,9-10H2.
What are the key properties of 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one has a molecular weight of 370.41 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 42597282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).