(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione

C19H29NO3 — CID 6426678

IUPAC(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione
SMILESCCCCCCCC[C@H]1CCC(=O)c2[nH]c(C)c(OC)c(=O)c21
InChIInChI=1S/C19H29NO3/c1-4-5-6-7-8-9-10-14-11-12-15(21)17-16(14)18(22)19(23-3)13(2)20-17/h14H,4-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeySJWGGIJOUKBIPF-AWEZNQCLSA-N
MW319.45 g/mol
LogP4.50
Rot. Bonds8

About (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione

(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione (PubChem CID 6426678) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione.

Molecular Properties

Compound Name(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione
PubChem CID6426678
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione
SMILESCCCCCCCC[C@H]1CCC(=O)c2[nH]c(C)c(OC)c(=O)c21
InChIInChI=1S/C19H29NO3/c1-4-5-6-7-8-9-10-14-11-12-15(21)17-16(14)18(22)19(23-3)13(2)20-17/h14H,4-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeySJWGGIJOUKBIPF-AWEZNQCLSA-N
XLogP4.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-heptyl-3-methoxy-2-methyl-1,5,6,7-tetrahydroquinoline-4,8-dione
CID 6426680
2-pentadecylcyclopropan-1-one
CID 70874004
3-hexyl-1-methoxypiperidine-2,6-dione
CID 59172801
1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177063
2-decylcyclopentan-1-one
CID 12823821
2-octylcyclohexane-1,3-dione
CID 102322610
3-pentylcyclohexane-1,2-dione
CID 67378390
8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol
CID 54095288
3-dodecyloxetan-2-one
CID 165020567
2-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
(2-hexylcyclobutylidene)methanedithiol
CID 88818630

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione?
The IUPAC name of (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione (CID 6426678) is (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione.
What is the SMILES notation for (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione?
The canonical SMILES for (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione is CCCCCCCC[C@H]1CCC(=O)c2[nH]c(C)c(OC)c(=O)c21.
What is the InChIKey of (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione?
The InChIKey is SJWGGIJOUKBIPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-5-6-7-8-9-10-14-11-12-15(21)17-16(14)18(22)19(23-3)13(2)20-17/h14H,4-12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione?
(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione has a molecular weight of 319.45 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione is sourced from PubChem (CID 6426678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).