(10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

C25H23NO5 — CID 1090263

IUPAC(10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c(OC)c1OC
InChIInChI=1S/C25H23NO5/c1-29-18-12-11-15(24(30-2)25(18)31-3)19-20-16(9-6-10-17(20)27)26-22-13-7-4-5-8-14(13)23(28)21(19)22/h4-5,7-8,11-12,19,26H,6,9-10H2,1-3H3/t19-/m1/s1
InChIKeyGGJMUSFOFDDDQC-LJQANCHMSA-N
MW417.46 g/mol
LogP4.01
Rot. Bonds4

About (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

(10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 1090263) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID1090263
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name(10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c(OC)c1OC
InChIInChI=1S/C25H23NO5/c1-29-18-12-11-15(24(30-2)25(18)31-3)19-20-16(9-6-10-17(20)27)26-22-13-7-4-5-8-14(13)23(28)21(19)22/h4-5,7-8,11-12,19,26H,6,9-10H2,1-3H3/t19-/m1/s1
InChIKeyGGJMUSFOFDDDQC-LJQANCHMSA-N
XLogP4.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Launch Full Analysis

Related Compounds

methyl (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 981319
(4S)-4-(2,3,4-trimethoxyphenyl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 27878410
(4S)-3-methyl-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135897675
(9S)-9-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879316
(10S)-10-(3-chlorophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 51450857
butyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3105804
[4-[(10S)-9,11-dioxo-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-10-yl]phenyl] 3-methylbenzoate
CID 1326848
7,7-dimethyl-10-naphthalen-1-yl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 2933264
10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3696926
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide
CID 72948644
[4-[(10R)-9,11-dioxo-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-10-yl]phenyl] 4-acetamidobenzenesulfonate
CID 2280950
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzenesulfonamide
CID 72948464

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 1090263) is (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is COc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c(OC)c1OC.
What is the InChIKey of (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is GGJMUSFOFDDDQC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23NO5/c1-29-18-12-11-15(24(30-2)25(18)31-3)19-20-16(9-6-10-17(20)27)26-22-13-7-4-5-8-14(13)23(28)21(19)22/h4-5,7-8,11-12,19,26H,6,9-10H2,1-3H3/t19-/m1/s1.
What are the key properties of (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
(10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 417.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 1090263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).