1-chloro-2-ethylacridine

C15H12ClN — CID 174720098

IUPAC1-chloro-2-ethylacridine
SMILESCCc1ccc2nc3ccccc3cc2c1Cl
InChIInChI=1S/C15H12ClN/c1-2-10-7-8-14-12(15(10)16)9-11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3
InChIKeyNQPGYRISSIMVGM-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.60
Rot. Bonds1

About 1-chloro-2-ethylacridine

1-chloro-2-ethylacridine (PubChem CID 174720098) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-chloro-2-ethylacridine.

Molecular Properties

Compound Name1-chloro-2-ethylacridine
PubChem CID174720098
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name1-chloro-2-ethylacridine
SMILESCCc1ccc2nc3ccccc3cc2c1Cl
InChIInChI=1S/C15H12ClN/c1-2-10-7-8-14-12(15(10)16)9-11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3
InChIKeyNQPGYRISSIMVGM-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylacridine
CID 87175858
acridine;9-propylacridine
CID 146450775
1-hexadecylacridine;hydrochloride
CID 172754650
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
CID 102134774
1-acridin-1-ylbutan-1-one
CID 174652191
acridine;ethane
CID 123684759
acridine
CID 21226281
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
1-methylacridine;hydrochloride
CID 175333750
acridine-1,2-disulfonic acid
CID 151823397
acridine;heptane
CID 158562494
3-ethyl-2-pyridin-2-ylquinoline
CID 71056975

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylacridine?
The IUPAC name of 1-chloro-2-ethylacridine (CID 174720098) is 1-chloro-2-ethylacridine.
What is the SMILES notation for 1-chloro-2-ethylacridine?
The canonical SMILES for 1-chloro-2-ethylacridine is CCc1ccc2nc3ccccc3cc2c1Cl.
What is the InChIKey of 1-chloro-2-ethylacridine?
The InChIKey is NQPGYRISSIMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c1-2-10-7-8-14-12(15(10)16)9-11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3.
What are the key properties of 1-chloro-2-ethylacridine?
1-chloro-2-ethylacridine has a molecular weight of 241.72 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylacridine is sourced from PubChem (CID 174720098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).