3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline

C12H10N2O2 — CID 86748677

IUPAC3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline
SMILESO=[N+]([O-])c1cnc2cc3c(cc2c1)CCC3
InChIInChI=1S/C12H10N2O2/c15-14(16)11-5-10-4-8-2-1-3-9(8)6-12(10)13-7-11/h4-7H,1-3H2
InChIKeyMWGDUHNBHOPIAR-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.63
Rot. Bonds1

About 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline

3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline (PubChem CID 86748677) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline
PubChem CID86748677
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline
SMILESO=[N+]([O-])c1cnc2cc3c(cc2c1)CCC3
InChIInChI=1S/C12H10N2O2/c15-14(16)11-5-10-4-8-2-1-3-9(8)6-12(10)13-7-11/h4-7H,1-3H2
InChIKeyMWGDUHNBHOPIAR-UHFFFAOYSA-N
XLogP2.63
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
CID 12524049
6-nitrofuro[3,2-b]pyridine
CID 174208193
(3-nitroquinolin-7-yl)methanesulfinate
CID 174560872
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 14297064
2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 44613613
6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
CID 15462861
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 30640158
5-methyl-3-nitroquinoline
CID 119082281
6-bromo-8-methyl-3-nitroquinoline
CID 119085199
(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 13063489
1-(cyclohexylmethyl)-5-nitropyrrolo[2,3-b]pyridine
CID 90152555

Frequently Asked Questions

What is the IUPAC name of 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline?
The IUPAC name of 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline (CID 86748677) is 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline.
What is the SMILES notation for 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline?
The canonical SMILES for 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline is O=[N+]([O-])c1cnc2cc3c(cc2c1)CCC3.
What is the InChIKey of 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline?
The InChIKey is MWGDUHNBHOPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-14(16)11-5-10-4-8-2-1-3-9(8)6-12(10)13-7-11/h4-7H,1-3H2.
What are the key properties of 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline?
3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline has a molecular weight of 214.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline is sourced from PubChem (CID 86748677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).