4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione

C18H22N2O3 — CID 134369502

IUPAC4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione
SMILESCC1=CC(=O)N(CC(C)C)C2Cc3[nH]c(=O)cc(C)c3C(=O)C12
InChIInChI=1S/C18H22N2O3/c1-9(2)8-20-13-7-12-16(10(3)5-14(21)19-12)18(23)17(13)11(4)6-15(20)22/h5-6,9,13,17H,7-8H2,1-4H3,(H,19,21)
InChIKeyBKZOVWMUVAHHSS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.85
Rot. Bonds2

About 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione

4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione (PubChem CID 134369502) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione
PubChem CID134369502
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione
SMILESCC1=CC(=O)N(CC(C)C)C2Cc3[nH]c(=O)cc(C)c3C(=O)C12
InChIInChI=1S/C18H22N2O3/c1-9(2)8-20-13-7-12-16(10(3)5-14(21)19-12)18(23)17(13)11(4)6-15(20)22/h5-6,9,13,17H,7-8H2,1-4H3,(H,19,21)
InChIKeyBKZOVWMUVAHHSS-UHFFFAOYSA-N
XLogP1.85
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione with MolForge

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Related Compounds

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-isononyl-6-(isononylamino)-
CID 3086649
N-cyclohexyl-N-ethyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37586822
2-hydroxy-7-methyl-3-[(4-methylpiperazin-1-yl)carbonyl]-7,8-dihydroquinolin-5(6H)-one
CID 52996575
N-cyclopropyl-N-(3-methylbutyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53564036
N-cyclopropyl-N-(3-methylbutan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935591
N-cyclohexyl-2,5-dioxo-N-propyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935794
N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71938311
N-(3-methylbutyl)-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 33330369
N-(cyclopropylmethyl)-2-hydroxy-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 52897924
3-(2,6-Dimethylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 53546552
N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935578
3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 93608378

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione?
The IUPAC name of 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione (CID 134369502) is 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione.
What is the SMILES notation for 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione?
The canonical SMILES for 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione is CC1=CC(=O)N(CC(C)C)C2Cc3[nH]c(=O)cc(C)c3C(=O)C12.
What is the InChIKey of 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione?
The InChIKey is BKZOVWMUVAHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-9(2)8-20-13-7-12-16(10(3)5-14(21)19-12)18(23)17(13)11(4)6-15(20)22/h5-6,9,13,17H,7-8H2,1-4H3,(H,19,21).
What are the key properties of 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione?
4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione has a molecular weight of 314.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-methylpropyl)-4a,9,10,10a-tetrahydropyrido[3,2-g]quinoline-2,5,8-trione is sourced from PubChem (CID 134369502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).