2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione

C24H20N2O2 — CID 139796157

IUPAC2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCCn1c2ccc(C)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C24H20N2O2/c1-3-10-26-21-9-8-14(2)11-17(21)24(28)18-12-20-16(13-22(18)26)23(27)15-6-4-5-7-19(15)25-20/h4-9,11-13H,3,10H2,1-2H3,(H,25,27)
InChIKeyXHMHHDRXZGOHKB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.87
Rot. Bonds2

About 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione

2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione (PubChem CID 139796157) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
PubChem CID139796157
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
SMILESCCCn1c2ccc(C)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21
InChIInChI=1S/C24H20N2O2/c1-3-10-26-21-9-8-14(2)11-17(21)24(28)18-12-20-16(13-22(18)26)23(27)15-6-4-5-7-19(15)25-20/h4-9,11-13H,3,10H2,1-2H3,(H,25,27)
InChIKeyXHMHHDRXZGOHKB-UHFFFAOYSA-N
XLogP4.87
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796151
2-tert-butyl-5-ethyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796199
5-ethyl-2-methoxy-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796239
5-[3-(2,5-dioxopyrrol-1-yl)propyl]-12H-quinolino[2,3-b]acridine-7,14-dione
CID 59593618
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
2,5-dimethyl-6H-indolo[2,3-b]quinolin-11-one
CID 139219477
2,7-dimethyl-10H-acridin-9-one
CID 13293445
(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one
CID 157209438
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
3,6-bis[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propoxy]acridin-9-one;3-[2-(diethylamino)ethoxy]-10H-acridin-9-one;3-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]-6-methylacridin-9-one
CID 159800506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione (CID 139796157) is 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione is CCCn1c2ccc(C)cc2c(=O)c2cc3[nH]c4ccccc4c(=O)c3cc21.
What is the InChIKey of 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is XHMHHDRXZGOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-10-26-21-9-8-14(2)11-17(21)24(28)18-12-20-16(13-22(18)26)23(27)15-6-4-5-7-19(15)25-20/h4-9,11-13H,3,10H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione?
2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 368.44 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139796157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).