1,2,3,4-tetrahydropyrido[3,4-b]acridine

C16H14N2 — CID 87973944

IUPAC1,2,3,4-tetrahydropyrido[3,4-b]acridine
SMILESc1ccc2nc3cc4c(cc3cc2c1)CNCC4
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/h1-4,7-9,17H,5-6,10H2
InChIKeySYUYVFKOJRKYCQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.03
Rot. Bonds

About 1,2,3,4-tetrahydropyrido[3,4-b]acridine

1,2,3,4-tetrahydropyrido[3,4-b]acridine (PubChem CID 87973944) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrido[3,4-b]acridine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrido[3,4-b]acridine
PubChem CID87973944
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1,2,3,4-tetrahydropyrido[3,4-b]acridine
SMILESc1ccc2nc3cc4c(cc3cc2c1)CNCC4
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/h1-4,7-9,17H,5-6,10H2
InChIKeySYUYVFKOJRKYCQ-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

benzo[b]acridine
CID 6451416
acridine
CID 21226281
1-(2-methylquinolin-3-yl)ethanone;1,2,3,4-tetrahydroisoquinoline
CID 21227355
acridine;argon
CID 157415582
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020
acridine;ethane
CID 123684759
N-methyl-7,8,9,10-tetrahydro-6H-pyrido[2,3-h][3]benzazepin-2-amine
CID 46873321
1,2,3,4-tetrahydropyridazino[4,5-b]quinoline
CID 54424322
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrido[3,4-b]acridine?
The IUPAC name of 1,2,3,4-tetrahydropyrido[3,4-b]acridine (CID 87973944) is 1,2,3,4-tetrahydropyrido[3,4-b]acridine.
What is the SMILES notation for 1,2,3,4-tetrahydropyrido[3,4-b]acridine?
The canonical SMILES for 1,2,3,4-tetrahydropyrido[3,4-b]acridine is c1ccc2nc3cc4c(cc3cc2c1)CNCC4.
What is the InChIKey of 1,2,3,4-tetrahydropyrido[3,4-b]acridine?
The InChIKey is SYUYVFKOJRKYCQ-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/h1-4,7-9,17H,5-6,10H2.
What are the key properties of 1,2,3,4-tetrahydropyrido[3,4-b]acridine?
1,2,3,4-tetrahydropyrido[3,4-b]acridine has a molecular weight of 234.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrido[3,4-b]acridine is sourced from PubChem (CID 87973944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).