11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione

C21H20N2O2 — CID 163972370

IUPAC11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione
SMILESCC12CC=CC=C1C(=O)C1C=C3NC4C=CC=CC4C(=O)C3=CC1N2
InChIInChI=1S/C21H20N2O2/c1-21-9-5-4-7-15(21)20(25)14-10-17-13(11-18(14)23-21)19(24)12-6-2-3-8-16(12)22-17/h2-8,10-12,14,16,18,22-23H,9H2,1H3
InChIKeySRCSXWZQJKQBLK-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.90
Rot. Bonds

About 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione

11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 163972370) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione
PubChem CID163972370
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione
SMILESCC12CC=CC=C1C(=O)C1C=C3NC4C=CC=CC4C(=O)C3=CC1N2
InChIInChI=1S/C21H20N2O2/c1-21-9-5-4-7-15(21)20(25)14-10-17-13(11-18(14)23-21)19(24)12-6-2-3-8-16(12)22-17/h2-8,10-12,14,16,18,22-23H,9H2,1H3
InChIKeySRCSXWZQJKQBLK-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one
CID 155573960
(2E,3E)-2,3-di(ethylidene)-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
CID 129110583
(2E,3E)-3-ethylidene-2-prop-2-ynylidene-1,4a,6,6a,10a,12a-hexahydropyrido[2,3-b]acridine-4,11-dione
CID 132050526
4a,5,6a,9,10,12,12a,14a-Octahydroquinolino[2,3-b]acridine-7,14-dione
CID 132050527
3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
CID 135128698
1,4-Bis(methylamino)-1,2,8,8a-tetrahydroanthracene-9,10-dione
CID 146542545
2,9-Ditert-butyl-1,2,5,11,11a,12,13,13a-octahydroquinolino[2,3-b]acridine-7,14-dione
CID 164064820

Frequently Asked Questions

What is the IUPAC name of 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione (CID 163972370) is 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione is CC12CC=CC=C1C(=O)C1C=C3NC4C=CC=CC4C(=O)C3=CC1N2.
What is the InChIKey of 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is SRCSXWZQJKQBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-21-9-5-4-7-15(21)20(25)14-10-17-13(11-18(14)23-21)19(24)12-6-2-3-8-16(12)22-17/h2-8,10-12,14,16,18,22-23H,9H2,1H3.
What are the key properties of 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione?
11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 332.40 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11a-methyl-5,6a,11,12,12a,14a-hexahydro-4aH-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 163972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).