4a,5,12,12a-tetrahydropyrido[3,4-b]acridine

C16H14N2 — CID 22340309

IUPAC4a,5,12,12a-tetrahydropyrido[3,4-b]acridine
SMILESC1=CC2Cc3nc4ccccc4cc3CC2C=N1
InChIInChI=1S/C16H14N2/c1-2-4-15-12(3-1)7-13-8-14-10-17-6-5-11(14)9-16(13)18-15/h1-7,10-11,14H,8-9H2
InChIKeyIGXDFMIUALVKAL-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.16
Rot. Bonds

About 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine

4a,5,12,12a-tetrahydropyrido[3,4-b]acridine (PubChem CID 22340309) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine.

Molecular Properties

Compound Name4a,5,12,12a-tetrahydropyrido[3,4-b]acridine
PubChem CID22340309
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4a,5,12,12a-tetrahydropyrido[3,4-b]acridine
SMILESC1=CC2Cc3nc4ccccc4cc3CC2C=N1
InChIInChI=1S/C16H14N2/c1-2-4-15-12(3-1)7-13-8-14-10-17-6-5-11(14)9-16(13)18-15/h1-7,10-11,14H,8-9H2
InChIKeyIGXDFMIUALVKAL-UHFFFAOYSA-N
XLogP3.16
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine?
The IUPAC name of 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine (CID 22340309) is 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine.
What is the SMILES notation for 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine?
The canonical SMILES for 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine is C1=CC2Cc3nc4ccccc4cc3CC2C=N1.
What is the InChIKey of 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine?
The InChIKey is IGXDFMIUALVKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-4-15-12(3-1)7-13-8-14-10-17-6-5-11(14)9-16(13)18-15/h1-7,10-11,14H,8-9H2.
What are the key properties of 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine?
4a,5,12,12a-tetrahydropyrido[3,4-b]acridine has a molecular weight of 234.30 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,12,12a-tetrahydropyrido[3,4-b]acridine is sourced from PubChem (CID 22340309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).