2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione

C24H17NO3 — CID 4090872

IUPAC2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione
SMILESCCOc1ccc2nc(C3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1
InChIInChI=1S/C24H17NO3/c1-2-28-16-10-12-19-15(13-16)9-11-20(25-19)22-23(26)17-7-3-5-14-6-4-8-18(21(14)17)24(22)27/h3-13,22H,2H2,1H3
InChIKeySYNMWOFXXNIKKX-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.95
Rot. Bonds3

About 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione

2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione (PubChem CID 4090872) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione.

Molecular Properties

Compound Name2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione
PubChem CID4090872
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione
SMILESCCOc1ccc2nc(C3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1
InChIInChI=1S/C24H17NO3/c1-2-28-16-10-12-19-15(13-16)9-11-20(25-19)22-23(26)17-7-3-5-14-6-4-8-18(21(14)17)24(22)27/h3-13,22H,2H2,1H3
InChIKeySYNMWOFXXNIKKX-UHFFFAOYSA-N
XLogP4.95
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethoxynaphthalene
CID 118978197
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
2-(4-ethoxyphenyl)indene-1,3-dione
CID 622331
2,6-diethoxyanthracene
CID 12651989
7-ethoxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one
CID 628766
6-ethoxy-3-phenylquinolin-2-amine;hydrochloride
CID 43866041
ethoxyethane;2-ethoxynaphthalene
CID 118982387
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
[2-(1,3-dioxophenalen-2-yl)quinolin-5-yl] cyclohexanesulfonate
CID 139443861
1,7-diethoxynaphthalene
CID 13359547

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione?
The IUPAC name of 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione (CID 4090872) is 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione.
What is the SMILES notation for 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione?
The canonical SMILES for 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione is CCOc1ccc2nc(C3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1.
What is the InChIKey of 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione?
The InChIKey is SYNMWOFXXNIKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c1-2-28-16-10-12-19-15(13-16)9-11-20(25-19)22-23(26)17-7-3-5-14-6-4-8-18(21(14)17)24(22)27/h3-13,22H,2H2,1H3.
What are the key properties of 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione?
2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione has a molecular weight of 367.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxyquinolin-2-yl)phenalene-1,3-dione is sourced from PubChem (CID 4090872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).