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

C23H19NO3 — CID 3940608

IUPAC10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1
InChIInChI=1S/C23H19NO3/c1-27-14-11-9-13(10-12-14)19-20-17(7-4-8-18(20)25)24-22-15-5-2-3-6-16(15)23(26)21(19)22/h2-3,5-6,9-12,19,21H,4,7-8H2,1H3
InChIKeyJANRNVVSRSVHGD-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.10
Rot. Bonds2

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

10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 3940608) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID3940608
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1
InChIInChI=1S/C23H19NO3/c1-27-14-11-9-13(10-12-14)19-20-17(7-4-8-18(20)25)24-22-15-5-2-3-6-16(15)23(26)21(19)22/h2-3,5-6,9-12,19,21H,4,7-8H2,1H3
InChIKeyJANRNVVSRSVHGD-UHFFFAOYSA-N
XLogP4.10
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 3940608) is 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is COc1ccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is JANRNVVSRSVHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-14-11-9-13(10-12-14)19-20-17(7-4-8-18(20)25)24-22-15-5-2-3-6-16(15)23(26)21(19)22/h2-3,5-6,9-12,19,21H,4,7-8H2,1H3.
What are the key properties of 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 357.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3940608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).