4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one

C20H16FN3O4 — CID 102494073

IUPAC4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one
SMILESCNC1=C([N+](=O)[O-])C(c2ccc(F)cc2)c2c(c3ccccc3n(C)c2=O)O1
InChIInChI=1S/C20H16FN3O4/c1-22-19-17(24(26)27)15(11-7-9-12(21)10-8-11)16-18(28-19)13-5-3-4-6-14(13)23(2)20(16)25/h3-10,15,22H,1-2H3
InChIKeyXOTFQEBDLSCCGN-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.87
Rot. Bonds3

About 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one

4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one (PubChem CID 102494073) has the molecular formula C20H16FN3O4 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one
PubChem CID102494073
Molecular FormulaC20H16FN3O4
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one
SMILESCNC1=C([N+](=O)[O-])C(c2ccc(F)cc2)c2c(c3ccccc3n(C)c2=O)O1
InChIInChI=1S/C20H16FN3O4/c1-22-19-17(24(26)27)15(11-7-9-12(21)10-8-11)16-18(28-19)13-5-3-4-6-14(13)23(2)20(16)25/h3-10,15,22H,1-2H3
InChIKeyXOTFQEBDLSCCGN-UHFFFAOYSA-N
XLogP2.87
TPSA86.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
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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Related Compounds

4-(4-fluorophenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4911306
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920271
6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4901306
3,5-dimethyl-3H-furo[3,2-c]quinoline-2,4-dione
CID 13329306
(4R)-2-amino-4-(4-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611120
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 14168965
(4R)-2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611122
2-amino-4-(4-ethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920617
4-(3-bromo-4-methoxyphenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 91133130
4-(2,3-dimethoxyphenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4910411
3-hydroxy-5-methyl-2,3-dihydrofuro[3,2-c]quinolin-4-one
CID 15329366
4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-3-nitroquinolin-2-one
CID 7157876

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one (CID 102494073) is 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one is CNC1=C([N+](=O)[O-])C(c2ccc(F)cc2)c2c(c3ccccc3n(C)c2=O)O1.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is XOTFQEBDLSCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4/c1-22-19-17(24(26)27)15(11-7-9-12(21)10-8-11)16-18(28-19)13-5-3-4-6-14(13)23(2)20(16)25/h3-10,15,22H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one?
4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 381.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-2-(methylamino)-3-nitro-4H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 102494073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).