3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C23H19N3O2 — CID 140517849

IUPAC3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCc1c(CN)cc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c2c1C
InChIInChI=1S/C23H19N3O2/c1-11-12(2)21-20(7-13(11)10-24)26-19-8-15-18(9-16(19)23(21)28)25-17-6-4-3-5-14(17)22(15)27/h3-9H,10,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCZDJRLSARKZQTF-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.75
Rot. Bonds1

About 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 140517849) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID140517849
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCc1c(CN)cc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c2c1C
InChIInChI=1S/C23H19N3O2/c1-11-12(2)21-20(7-13(11)10-24)26-19-8-15-18(9-16(19)23(21)28)25-17-6-4-3-5-14(17)22(15)27/h3-9H,10,24H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCZDJRLSARKZQTF-UHFFFAOYSA-N
XLogP3.75
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
2-(2-aminoethyl)-10H-acridin-9-one
CID 24994404
3-but-3-enyl-2-methyl-1,6-dihydropyrido[2,3-b]acridine-4,11-dione
CID 89302916
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481
12H-thiochromeno[2,3-b]acridine-7,14-dione
CID 67634698
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 140517849) is 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is Cc1c(CN)cc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c2c1C.
What is the InChIKey of 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is CZDJRLSARKZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-11-12(2)21-20(7-13(11)10-24)26-19-8-15-18(9-16(19)23(21)28)25-17-6-4-3-5-14(17)22(15)27/h3-9H,10,24H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 369.42 g/mol, XLogP of 3.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,2-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 140517849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).