acridine;1,2-dihydroquinoline

C22H18N2 — CID 174729818

IUPACacridine;1,2-dihydroquinoline
SMILESC1=Cc2ccccc2NC1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C9H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-9-8(4-1)5-3-7-10-9/h1-9H;1-6,10H,7H2
InChIKeyXXEXNSHRYANEMB-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.51
Rot. Bonds

About acridine;1,2-dihydroquinoline

acridine;1,2-dihydroquinoline (PubChem CID 174729818) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is acridine;1,2-dihydroquinoline.

Molecular Properties

Compound Nameacridine;1,2-dihydroquinoline
PubChem CID174729818
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Nameacridine;1,2-dihydroquinoline
SMILESC1=Cc2ccccc2NC1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.C9H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-9-8(4-1)5-3-7-10-9/h1-9H;1-6,10H,7H2
InChIKeyXXEXNSHRYANEMB-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.51
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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Frequently Asked Questions

What is the IUPAC name of acridine;1,2-dihydroquinoline?
The IUPAC name of acridine;1,2-dihydroquinoline (CID 174729818) is acridine;1,2-dihydroquinoline.
What is the SMILES notation for acridine;1,2-dihydroquinoline?
The canonical SMILES for acridine;1,2-dihydroquinoline is C1=Cc2ccccc2NC1.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;1,2-dihydroquinoline?
The InChIKey is XXEXNSHRYANEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C9H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-9-8(4-1)5-3-7-10-9/h1-9H;1-6,10H,7H2.
What are the key properties of acridine;1,2-dihydroquinoline?
acridine;1,2-dihydroquinoline has a molecular weight of 310.40 g/mol, XLogP of 5.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;1,2-dihydroquinoline is sourced from PubChem (CID 174729818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).