2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine

C25H24N2O2 — CID 123345591

IUPAC2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine
SMILESCCN.Cc1ccc2c(c1)C(=O)c1cc3[nH]c4ccc(C)cc4c(=O)c3cc1C2
InChIInChI=1S/C23H17NO2.C2H7N/c1-12-3-5-14-9-15-10-19-21(11-17(15)22(25)16(14)7-12)24-20-6-4-13(2)8-18(20)23(19)26;1-2-3/h3-8,10-11H,9H2,1-2H3,(H,24,26);2-3H2,1H3
InChIKeyLZRADHNPSRSYDL-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.40
Rot. Bonds

About 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine

2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine (PubChem CID 123345591) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine.

Molecular Properties

Compound Name2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine
PubChem CID123345591
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine
SMILESCCN.Cc1ccc2c(c1)C(=O)c1cc3[nH]c4ccc(C)cc4c(=O)c3cc1C2
InChIInChI=1S/C23H17NO2.C2H7N/c1-12-3-5-14-9-15-10-19-21(11-17(15)22(25)16(14)7-12)24-20-6-4-13(2)8-18(20)23(19)26;1-2-3/h3-8,10-11H,9H2,1-2H3,(H,24,26);2-3H2,1H3
InChIKeyLZRADHNPSRSYDL-UHFFFAOYSA-N
XLogP4.40
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine?
The IUPAC name of 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine (CID 123345591) is 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine.
What is the SMILES notation for 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine?
The canonical SMILES for 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine is CCN.Cc1ccc2c(c1)C(=O)c1cc3[nH]c4ccc(C)cc4c(=O)c3cc1C2.
What is the InChIKey of 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine?
The InChIKey is LZRADHNPSRSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2.C2H7N/c1-12-3-5-14-9-15-10-19-21(11-17(15)22(25)16(14)7-12)24-20-6-4-13(2)8-18(20)23(19)26;1-2-3/h3-8,10-11H,9H2,1-2H3,(H,24,26);2-3H2,1H3.
What are the key properties of 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine?
2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine has a molecular weight of 384.48 g/mol, XLogP of 4.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;ethanamine is sourced from PubChem (CID 123345591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).