4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine

C22H20N2 — CID 87436462

IUPAC4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine
SMILESCC1=C2CC3CC(C)=c4cc5ccccc5nc4=C3N=C2CC=C1
InChIInChI=1S/C22H20N2/c1-13-6-5-9-20-17(13)12-16-10-14(2)18-11-15-7-3-4-8-19(15)23-22(18)21(16)24-20/h3-8,11,16H,9-10,12H2,1-2H3
InChIKeyAQLDPQZFHCOKFB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.65
Rot. Bonds

About 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine

4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine (PubChem CID 87436462) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine.

Molecular Properties

Compound Name4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine
PubChem CID87436462
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine
SMILESCC1=C2CC3CC(C)=c4cc5ccccc5nc4=C3N=C2CC=C1
InChIInChI=1S/C22H20N2/c1-13-6-5-9-20-17(13)12-16-10-14(2)18-11-15-7-3-4-8-19(15)23-22(18)21(16)24-20/h3-8,11,16H,9-10,12H2,1-2H3
InChIKeyAQLDPQZFHCOKFB-UHFFFAOYSA-N
XLogP3.65
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine?
The IUPAC name of 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine (CID 87436462) is 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine.
What is the SMILES notation for 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine?
The canonical SMILES for 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine is CC1=C2CC3CC(C)=c4cc5ccccc5nc4=C3N=C2CC=C1.
What is the InChIKey of 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine?
The InChIKey is AQLDPQZFHCOKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-13-6-5-9-20-17(13)12-16-10-14(2)18-11-15-7-3-4-8-19(15)23-22(18)21(16)24-20/h3-8,11,16H,9-10,12H2,1-2H3.
What are the key properties of 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine?
4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine has a molecular weight of 312.42 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine is sourced from PubChem (CID 87436462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).