3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one

C18H12N2O4 — CID 102134787

IUPAC3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
SMILESO=C1OC(c2cccc([N+](=O)[O-])c2)Cc2nc3ccccc3cc21
InChIInChI=1S/C18H12N2O4/c21-18-14-9-11-4-1-2-7-15(11)19-16(14)10-17(24-18)12-5-3-6-13(8-12)20(22)23/h1-9,17H,10H2
InChIKeyWFZHHRSQVIRIIJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.60
Rot. Bonds2

About 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one

3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one (PubChem CID 102134787) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one.

Molecular Properties

Compound Name3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
PubChem CID102134787
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
SMILESO=C1OC(c2cccc([N+](=O)[O-])c2)Cc2nc3ccccc3cc21
InChIInChI=1S/C18H12N2O4/c21-18-14-9-11-4-1-2-7-15(11)19-16(14)10-17(24-18)12-5-3-6-13(8-12)20(22)23/h1-9,17H,10H2
InChIKeyWFZHHRSQVIRIIJ-UHFFFAOYSA-N
XLogP3.60
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

3-(4-ethylphenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
CID 102134786
2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 10084425
6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606
2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
CID 45112101
N-(3-nitrophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4906873
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760
2-(3-nitrophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 158773048
4-acetyl-5-(3-nitrophenyl)oxolan-2-one
CID 3068265
3-(3,4-dichlorophenyl)-3,4-dihydro-2H-acridin-1-one
CID 598071
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)oxolane-2,3-dione
CID 7113811

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
The IUPAC name of 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one (CID 102134787) is 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one.
What is the SMILES notation for 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
The canonical SMILES for 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one is O=C1OC(c2cccc([N+](=O)[O-])c2)Cc2nc3ccccc3cc21.
What is the InChIKey of 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
The InChIKey is WFZHHRSQVIRIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-18-14-9-11-4-1-2-7-15(11)19-16(14)10-17(24-18)12-5-3-6-13(8-12)20(22)23/h1-9,17H,10H2.
What are the key properties of 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one?
3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one has a molecular weight of 320.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one is sourced from PubChem (CID 102134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).