11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one

C23H18N2O3 — CID 167512794

IUPAC11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
SMILESC=C1C2=C(NC3=C(C(=O)CCC3)C2c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C23H18N2O3/c1-13-16-5-2-3-6-17(16)23-20(13)21(14-9-11-15(12-10-14)25(27)28)22-18(24-23)7-4-8-19(22)26/h2-3,5-6,9-12,21,24H,1,4,7-8H2
InChIKeyKBRGEJLDHCUOCM-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.73
Rot. Bonds2

About 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one

11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one (PubChem CID 167512794) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one.

Molecular Properties

Compound Name11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
PubChem CID167512794
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
SMILESC=C1C2=C(NC3=C(C(=O)CCC3)C2c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C23H18N2O3/c1-13-16-5-2-3-6-17(16)23-20(13)21(14-9-11-15(12-10-14)25(27)28)22-18(24-23)7-4-8-19(22)26/h2-3,5-6,9-12,21,24H,1,4,7-8H2
InChIKeyKBRGEJLDHCUOCM-UHFFFAOYSA-N
XLogP4.73
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
CID 154645620
7-(4-nitrophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
CID 42642087
2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 2863459
(4R)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 749192
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzenesulfonamide
CID 72948464
9-[4-(2,4-dinitrophenoxy)phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126084134
(10S)-10-(3-chlorophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 51450857
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide
CID 72948644
9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 23248494
cycloheptyl 2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2917369
9-(4-hydroxy-3-nitrophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126040198
2-[(2-chlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 86261332

Frequently Asked Questions

What is the IUPAC name of 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
The IUPAC name of 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one (CID 167512794) is 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one.
What is the SMILES notation for 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
The canonical SMILES for 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one is C=C1C2=C(NC3=C(C(=O)CCC3)C2c2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
The InChIKey is KBRGEJLDHCUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-13-16-5-2-3-6-17(16)23-20(13)21(14-9-11-15(12-10-14)25(27)28)22-18(24-23)7-4-8-19(22)26/h2-3,5-6,9-12,21,24H,1,4,7-8H2.
What are the key properties of 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one has a molecular weight of 370.41 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylidene-10-(4-nitrophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one is sourced from PubChem (CID 167512794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).