4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

C18H16N2O3 — CID 3527771

IUPAC4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3
InChIInChI=1S/C18H16N2O3/c21-18-10-15(13-5-2-6-14(7-13)20(22)23)16-8-11-3-1-4-12(11)9-17(16)19-18/h2,5-9,15H,1,3-4,10H2,(H,19,21)
InChIKeyHSBHLBCESVHRBD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.56
Rot. Bonds2

About 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (PubChem CID 3527771) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
PubChem CID3527771
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESO=C1CC(c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3
InChIInChI=1S/C18H16N2O3/c21-18-10-15(13-5-2-6-14(7-13)20(22)23)16-8-11-3-1-4-12(11)9-17(16)19-18/h2,5-9,15H,1,3-4,10H2,(H,19,21)
InChIKeyHSBHLBCESVHRBD-UHFFFAOYSA-N
XLogP3.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 66827792
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707562
(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707503
methyl (4S)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 772402
8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 4093214
(6S)-6-(3-nitrophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 713102

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (CID 3527771) is 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is O=C1CC(c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)CCC3.
What is the InChIKey of 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The InChIKey is HSBHLBCESVHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18-10-15(13-5-2-6-14(7-13)20(22)23)16-8-11-3-1-4-12(11)9-17(16)19-18/h2,5-9,15H,1,3-4,10H2,(H,19,21).
What are the key properties of 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one has a molecular weight of 308.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 3527771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).