2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C21H13ClN2O2 — CID 59775439

IUPAC2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCc1ccc2[nH]c3cc4c(=O)c5cc(Cl)ccc5[nH]c4cc3c(=O)c2c1
InChIInChI=1S/C21H13ClN2O2/c1-10-2-4-16-12(6-10)20(25)14-8-19-15(9-18(14)23-16)21(26)13-7-11(22)3-5-17(13)24-19/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyNXCQWKLJSUTFNP-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.64
Rot. Bonds

About 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 59775439) has the molecular formula C21H13ClN2O2 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID59775439
Molecular FormulaC21H13ClN2O2
Molecular Weight360.80 g/mol
Exact Mass360.07
IUPAC Name2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCc1ccc2[nH]c3cc4c(=O)c5cc(Cl)ccc5[nH]c4cc3c(=O)c2c1
InChIInChI=1S/C21H13ClN2O2/c1-10-2-4-16-12(6-10)20(25)14-8-19-15(9-18(14)23-16)21(26)13-7-11(22)3-5-17(13)24-19/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyNXCQWKLJSUTFNP-UHFFFAOYSA-N
XLogP4.64
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

2,7-dimethyl-10H-acridin-9-one
CID 13293445
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
3,6-dimethyl-9H-carbazole
CID 144942624
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
CID 14178328
6-chloro-5-(dimethylamino)-2-methyl-10H-acridin-9-one
CID 155297676
2,9-dimethyl-14-methylidene-5,12-dihydroquinolino[2,3-b]acridin-7-one
CID 89357147
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850822
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 59775439) is 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is Cc1ccc2[nH]c3cc4c(=O)c5cc(Cl)ccc5[nH]c4cc3c(=O)c2c1.
What is the InChIKey of 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is NXCQWKLJSUTFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O2/c1-10-2-4-16-12(6-10)20(25)14-8-19-15(9-18(14)23-16)21(26)13-7-11(22)3-5-17(13)24-19/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 360.80 g/mol, XLogP of 4.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 59775439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).