9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione

C19H17ClN2O5 — CID 11843771

IUPAC9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)OC1)C2c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H17ClN2O5/c1-19(2)6-12-16(14(23)7-19)15(17-13(21-12)8-27-18(17)24)10-5-9(22(25)26)3-4-11(10)20/h3-5,15,21H,6-8H2,1-2H3
InChIKeyFHPKDLRLXLPCMG-UHFFFAOYSA-N
MW388.81 g/mol
LogP3.39
Rot. Bonds2

About 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione

9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione (PubChem CID 11843771) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione.

Molecular Properties

Compound Name9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione
PubChem CID11843771
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)OC1)C2c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H17ClN2O5/c1-19(2)6-12-16(14(23)7-19)15(17-13(21-12)8-27-18(17)24)10-5-9(22(25)26)3-4-11(10)20/h3-5,15,21H,6-8H2,1-2H3
InChIKeyFHPKDLRLXLPCMG-UHFFFAOYSA-N
XLogP3.39
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 53.39
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

9-(2-chlorophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione;ethane
CID 143018500
(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 27858675
methyl (4R)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1367552
9-(3,3-dimethyl-7-nitro-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one
CID 102294804
9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-2-methylsulfanyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4887658
(6R)-6-(2-hydroxy-5-nitrophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1290512
9-[3-(2,4-dinitrophenoxy)phenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 126095527
(9R)-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one
CID 6983261
9-[4-(2,4-dinitrophenoxy)phenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 126099574
9-(2-chloro-3-pyridinyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 51058218
3,3,6,6-tetramethyl-9-(4-methyl-3-nitrophenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117822
methyl (4R)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6982439

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione?
The IUPAC name of 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione (CID 11843771) is 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione.
What is the SMILES notation for 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione?
The canonical SMILES for 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)OC1)C2c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione?
The InChIKey is FHPKDLRLXLPCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-19(2)6-12-16(14(23)7-19)15(17-13(21-12)8-27-18(17)24)10-5-9(22(25)26)3-4-11(10)20/h3-5,15,21H,6-8H2,1-2H3.
What are the key properties of 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione?
9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione has a molecular weight of 388.81 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione is sourced from PubChem (CID 11843771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).