10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C25H23NO4 — CID 3135983

IUPAC10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)ccc1O
InChIInChI=1S/C25H23NO4/c1-25(2)11-16-21(18(28)12-25)20(13-8-9-17(27)19(10-13)30-3)22-23(26-16)14-6-4-5-7-15(14)24(22)29/h4-10,20,26-27H,11-12H2,1-3H3
InChIKeyYKLZCDAKAMRSBP-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.34
Rot. Bonds2

About 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3135983) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3135983
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)ccc1O
InChIInChI=1S/C25H23NO4/c1-25(2)11-16-21(18(28)12-25)20(13-8-9-17(27)19(10-13)30-3)22-23(26-16)14-6-4-5-7-15(14)24(22)29/h4-10,20,26-27H,11-12H2,1-3H3
InChIKeyYKLZCDAKAMRSBP-UHFFFAOYSA-N
XLogP4.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3135983) is 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)ccc1O.
What is the InChIKey of 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is YKLZCDAKAMRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-25(2)11-16-21(18(28)12-25)20(13-8-9-17(27)19(10-13)30-3)22-23(26-16)14-6-4-5-7-15(14)24(22)29/h4-10,20,26-27H,11-12H2,1-3H3.
What are the key properties of 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 401.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3135983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).