4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione

C41H28Cl3N7O6 — CID 159517969

IUPAC4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCC1C=CN(N(C)C)C2=C1C(=O)c1nccc(Cl)c1C2=O.Cc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O.Cc1cnc2c(c1)C(=O)c1nccc(Cl)c1C2=O
InChIInChI=1S/C15H14ClN3O2.2C13H7ClN2O2/c1-8-5-7-19(18(2)3)13-10(8)14(20)12-11(15(13)21)9(16)4-6-17-12;1-6-2-4-15-10-8(6)12(17)11-9(13(10)18)7(14)3-5-16-11;1-6-4-7-10(16-5-6)13(18)9-8(14)2-3-15-11(9)12(7)17/h4-8H,1-3H3;2*2-5H,1H3
InChIKeyMBLGXQIRKNCWER-UHFFFAOYSA-N
MW821.08 g/mol
LogP6.74
Rot. Bonds1

About 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione

4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione (PubChem CID 159517969) has the molecular formula C41H28Cl3N7O6 and a molecular weight of 821.08 g/mol. Its IUPAC name is 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

Compound Name4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
PubChem CID159517969
Molecular FormulaC41H28Cl3N7O6
Molecular Weight821.08 g/mol
Exact Mass819.12
IUPAC Name4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
SMILESCC1C=CN(N(C)C)C2=C1C(=O)c1nccc(Cl)c1C2=O.Cc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O.Cc1cnc2c(c1)C(=O)c1nccc(Cl)c1C2=O
InChIInChI=1S/C15H14ClN3O2.2C13H7ClN2O2/c1-8-5-7-19(18(2)3)13-10(8)14(20)12-11(15(13)21)9(16)4-6-17-12;1-6-2-4-15-10-8(6)12(17)11-9(13(10)18)7(14)3-5-16-11;1-6-4-7-10(16-5-6)13(18)9-8(14)2-3-15-11(9)12(7)17/h4-8H,1-3H3;2*2-5H,1H3
InChIKeyMBLGXQIRKNCWER-UHFFFAOYSA-N
XLogP6.74
TPSA173.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione with MolForge

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Launch Full Analysis

Related Compounds

9-Chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione
CID 10199066
4-Chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
CID 11086449
9-Chloro-1-(dimethylamino)-4-methylpyrido[2,3-g]quinolin-1-ium-5,10-dione
CID 44392975
11-[5-(5,12-Dioxopyrido[2,3-b]acridin-11-yl)-3-pyridinyl]pyrido[2,3-b]acridine-5,12-dione
CID 393106
2-Chloro-5-fluoropyridine-3-carbaldehyde;2-chloro-6-methylpyridine-3-carbaldehyde;2-chloro-5-phenylpyridine-3-carbaldehyde;2-chloropyridine-3-carbaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde;2,5-dichloropyridine-3-carbaldehyde
CID 160429570
1,10-Phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 15772851
5-(3,6-dimethyl-10-oxo-5H-pyrido[4,3-g]quinolin-5-yl)-3,6-dimethyl-5H-pyrido[4,3-g]quinolin-10-one
CID 9911429
Tris(1,10-phenanthroline-5,6-dione);ruthenium(2+)
CID 11491079
9-Chloro-11-methylpyrido[2,3-b]acridine-5,12-dione
CID 11809023
18-Chloro-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one
CID 15481828
2,3-Dichloro-4-methylpyrido[2,3-g]quinoline-5,10-dione
CID 17957335
2,4-Dichloro-9-methylpyrido[2,3-g]quinoline-5,10-dione
CID 22646504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
The IUPAC name of 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione (CID 159517969) is 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione.
What is the SMILES notation for 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
The canonical SMILES for 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione is CC1C=CN(N(C)C)C2=C1C(=O)c1nccc(Cl)c1C2=O.Cc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O.Cc1cnc2c(c1)C(=O)c1nccc(Cl)c1C2=O.
What is the InChIKey of 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
The InChIKey is MBLGXQIRKNCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2.2C13H7ClN2O2/c1-8-5-7-19(18(2)3)13-10(8)14(20)12-11(15(13)21)9(16)4-6-17-12;1-6-2-4-15-10-8(6)12(17)11-9(13(10)18)7(14)3-5-16-11;1-6-4-7-10(16-5-6)13(18)9-8(14)2-3-15-11(9)12(7)17/h4-8H,1-3H3;2*2-5H,1H3.
What are the key properties of 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione?
4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione has a molecular weight of 821.08 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(dimethylamino)-9-methyl-9H-pyrido[2,3-g]quinoline-5,10-dione;4-chloro-9-methylpyrido[2,3-g]quinoline-5,10-dione;9-chloro-3-methylpyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 159517969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).