10-ethyl-3-methylbenzo[c]acridine

C20H17N — CID 23621439

IUPAC10-ethyl-3-methylbenzo[c]acridine
SMILESCCc1ccc2cc3ccc4cc(C)ccc4c3nc2c1
InChIInChI=1S/C20H17N/c1-3-14-5-6-16-12-17-8-7-15-10-13(2)4-9-18(15)20(17)21-19(16)11-14/h4-12H,3H2,1-2H3
InChIKeyPAGNWIUCKAVEBF-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.41
Rot. Bonds1

About 10-ethyl-3-methylbenzo[c]acridine

10-ethyl-3-methylbenzo[c]acridine (PubChem CID 23621439) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 10-ethyl-3-methylbenzo[c]acridine.

Molecular Properties

Compound Name10-ethyl-3-methylbenzo[c]acridine
PubChem CID23621439
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name10-ethyl-3-methylbenzo[c]acridine
SMILESCCc1ccc2cc3ccc4cc(C)ccc4c3nc2c1
InChIInChI=1S/C20H17N/c1-3-14-5-6-16-12-17-8-7-15-10-13(2)4-9-18(15)20(17)21-19(16)11-14/h4-12H,3H2,1-2H3
InChIKeyPAGNWIUCKAVEBF-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7-methylphenanthrene
CID 59758331
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
CID 170258496
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene
CID 157356063
2,6-dimethylnaphthalene;propane
CID 142191183
2,7-dimethylphenanthrene;ethane
CID 91503011
1-ethyl-2,6-dimethylnaphthalene
CID 20601360
(7-ethyl-3-methylquinolin-2-yl)hydrazine
CID 39346165
3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
CID 158031871
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
(7-ethyl-3-methylquinolin-2-yl)hydrazine;hydrochloride
CID 43866088
6-ethylcinnoline
CID 70647783

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3-methylbenzo[c]acridine?
The IUPAC name of 10-ethyl-3-methylbenzo[c]acridine (CID 23621439) is 10-ethyl-3-methylbenzo[c]acridine.
What is the SMILES notation for 10-ethyl-3-methylbenzo[c]acridine?
The canonical SMILES for 10-ethyl-3-methylbenzo[c]acridine is CCc1ccc2cc3ccc4cc(C)ccc4c3nc2c1.
What is the InChIKey of 10-ethyl-3-methylbenzo[c]acridine?
The InChIKey is PAGNWIUCKAVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-3-14-5-6-16-12-17-8-7-15-10-13(2)4-9-18(15)20(17)21-19(16)11-14/h4-12H,3H2,1-2H3.
What are the key properties of 10-ethyl-3-methylbenzo[c]acridine?
10-ethyl-3-methylbenzo[c]acridine has a molecular weight of 271.36 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3-methylbenzo[c]acridine is sourced from PubChem (CID 23621439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).