6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

C19H14N2O5 — CID 4901306

IUPAC6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O5/c1-20-15-5-3-2-4-13(15)18-17(19(20)23)14(10-16(22)26-18)11-6-8-12(9-7-11)21(24)25/h2-9,14H,10H2,1H3
InChIKeyJOACQBGALQTWTC-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.89
Rot. Bonds2

About 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 4901306) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID4901306
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O5/c1-20-15-5-3-2-4-13(15)18-17(19(20)23)14(10-16(22)26-18)11-6-8-12(9-7-11)21(24)25/h2-9,14H,10H2,1H3
InChIKeyJOACQBGALQTWTC-UHFFFAOYSA-N
XLogP2.89
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 4901306) is 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is Cn1c(=O)c2c(c3ccccc31)OC(=O)CC2c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is JOACQBGALQTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-20-15-5-3-2-4-13(15)18-17(19(20)23)14(10-16(22)26-18)11-6-8-12(9-7-11)21(24)25/h2-9,14H,10H2,1H3.
What are the key properties of 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 350.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 4901306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).