4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone

C17H18N2O4 — CID 134369531

IUPAC4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILESCCCn1c2c(c(C)cc1=O)C(=O)C1C(C)=CC(=O)NC1C2=O
InChIInChI=1S/C17H18N2O4/c1-4-5-19-11(21)7-9(3)13-15(19)17(23)14-12(16(13)22)8(2)6-10(20)18-14/h6-7,12,14H,4-5H2,1-3H3,(H,18,20)
InChIKeyFULCQQUXAWZLGA-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.01
Rot. Bonds2

About 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone

4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone (PubChem CID 134369531) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone.

Molecular Properties

Compound Name4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
PubChem CID134369531
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILESCCCn1c2c(c(C)cc1=O)C(=O)C1C(C)=CC(=O)NC1C2=O
InChIInChI=1S/C17H18N2O4/c1-4-5-19-11(21)7-9(3)13-15(19)17(23)14-12(16(13)22)8(2)6-10(20)18-14/h6-7,12,14H,4-5H2,1-3H3,(H,18,20)
InChIKeyFULCQQUXAWZLGA-UHFFFAOYSA-N
XLogP1.01
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylcyclohexyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53514391
6-ethyl-4,7-dimethyl-6,9-dihydro-1H-pyrido[3,2-g]quinoline-2,5,10-trione
CID 15259601
4,7-dimethyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione
CID 19701076
7-ethyl-4-methyl-9-oxido-9,9a-dihydro-1H-pyrido[3,2-g]quinolin-9-ium-2,5,10-trione
CID 19701081
4,7,8-trimethyl-5a,6,9,9a-tetrahydro-1H-benzo[g]quinoline-2,5,10-trione
CID 19701085
9-acetyl-10-methyl-2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-g][1,7]naphthyridin-12-one
CID 58357087
4,6-dimethyl-1-pentyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 89510041
4,6-dimethyl-1-(3-methylbutyl)-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 89510042
1-hexyl-4,6-dimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 89510063
1-(2,3-dimethylbutyl)-4,6-dimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 117652126
1-dodecyl-4,6-dimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 117804320
1,6-dimethyl-4-propyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 117804321

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The IUPAC name of 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone (CID 134369531) is 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone.
What is the SMILES notation for 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The canonical SMILES for 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone is CCCn1c2c(c(C)cc1=O)C(=O)C1C(C)=CC(=O)NC1C2=O.
What is the InChIKey of 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone?
The InChIKey is FULCQQUXAWZLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-5-19-11(21)7-9(3)13-15(19)17(23)14-12(16(13)22)8(2)6-10(20)18-14/h6-7,12,14H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone?
4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone has a molecular weight of 314.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-propyl-9,9a-dihydro-5aH-pyrido[3,2-g]quinoline-2,5,8,10-tetrone is sourced from PubChem (CID 134369531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).