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

C24H21NO4 — CID 3117970

IUPAC10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1OC
InChIInChI=1S/C24H21NO4/c1-28-18-11-10-13(12-19(18)29-2)20-21-16(8-5-9-17(21)26)25-23-14-6-3-4-7-15(14)24(27)22(20)23/h3-4,6-7,10-12,20,22H,5,8-9H2,1-2H3
InChIKeyYKTRXNDOVJDMTN-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.11
Rot. Bonds3

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

10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 3117970) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID3117970
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1OC
InChIInChI=1S/C24H21NO4/c1-28-18-11-10-13(12-19(18)29-2)20-21-16(8-5-9-17(21)26)25-23-14-6-3-4-7-15(14)24(27)22(20)23/h3-4,6-7,10-12,20,22H,5,8-9H2,1-2H3
InChIKeyYKTRXNDOVJDMTN-UHFFFAOYSA-N
XLogP4.11
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 3117970) is 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is COc1ccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1OC.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is YKTRXNDOVJDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-18-11-10-13(12-19(18)29-2)20-21-16(8-5-9-17(21)26)25-23-14-6-3-4-7-15(14)24(27)22(20)23/h3-4,6-7,10-12,20,22H,5,8-9H2,1-2H3.
What are the key properties of 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 387.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3117970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).