(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C24H19ClN2O4 — CID 27858675

IUPAC(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H19ClN2O4/c1-24(2)10-17-20(18(28)11-24)19(15-9-12(27(30)31)7-8-16(15)25)21-22(26-17)13-5-3-4-6-14(13)23(21)29/h3-9,19,26H,10-11H2,1-2H3/t19-/m1/s1
InChIKeyOJVLJJZJOORUKG-LJQANCHMSA-N
MW434.88 g/mol
LogP5.19
Rot. Bonds2

About (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 27858675) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID27858675
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Name(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H19ClN2O4/c1-24(2)10-17-20(18(28)11-24)19(15-9-12(27(30)31)7-8-16(15)25)21-22(26-17)13-5-3-4-6-14(13)23(21)29/h3-9,19,26H,10-11H2,1-2H3/t19-/m1/s1
InChIKeyOJVLJJZJOORUKG-LJQANCHMSA-N
XLogP5.19
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione
CID 11843771
10-(4-chlorophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3430314
(10R)-7,7-dimethyl-10-phenyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 1211712
methyl (4R)-4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1367552
7,7-dimethyl-10-naphthalen-1-yl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 2933264
(10S)-10-(3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 1167774
10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3696926
[4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] 4-chlorobenzoate
CID 51452474
ethyl 4-(7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl)benzoate
CID 3788909
(6R)-6-(2-hydroxy-5-nitrophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1290512
[4-[(10R)-7,7-dimethyl-9,11-dioxo-5,6,8,10-tetrahydroindeno[1,2-b]quinolin-10-yl]phenyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 98216510
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

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 27858675) is (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is OJVLJJZJOORUKG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c1-24(2)10-17-20(18(28)11-24)19(15-9-12(27(30)31)7-8-16(15)25)21-22(26-17)13-5-3-4-6-14(13)23(21)29/h3-9,19,26H,10-11H2,1-2H3/t19-/m1/s1.
What are the key properties of (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
(10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 434.88 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 27858675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).