6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid

C22H26N2O4 — CID 69495401

IUPAC6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
SMILESCOc1ccc(CN2c3ccccc3NC(=O)C2CCCCCC(=O)O)cc1
InChIInChI=1S/C22H26N2O4/c1-28-17-13-11-16(12-14-17)15-24-19-8-6-5-7-18(19)23-22(27)20(24)9-3-2-4-10-21(25)26/h5-8,11-14,20H,2-4,9-10,15H2,1H3,(H,23,27)(H,25,26)
InChIKeyIVBVYWZDPVRIMZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.06
Rot. Bonds9

About 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid

6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid (PubChem CID 69495401) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid.

Molecular Properties

Compound Name6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
PubChem CID69495401
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
SMILESCOc1ccc(CN2c3ccccc3NC(=O)C2CCCCCC(=O)O)cc1
InChIInChI=1S/C22H26N2O4/c1-28-17-13-11-16(12-14-17)15-24-19-8-6-5-7-18(19)23-22(27)20(24)9-3-2-4-10-21(25)26/h5-8,11-14,20H,2-4,9-10,15H2,1H3,(H,23,27)(H,25,26)
InChIKeyIVBVYWZDPVRIMZ-UHFFFAOYSA-N
XLogP4.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid 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

N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 16661310
3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
N-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-nitrophenyl]-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 143414725
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353
(6R)-5-[(4-methoxyphenyl)methyl]-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40990398
1-benzyl-5-dodecylimidazolidine-2,4-dione
CID 57096374
(2S)-2-benzyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 10739812
4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one
CID 177477097
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid?
The IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid (CID 69495401) is 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid.
What is the SMILES notation for 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid?
The canonical SMILES for 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid is COc1ccc(CN2c3ccccc3NC(=O)C2CCCCCC(=O)O)cc1.
What is the InChIKey of 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid?
The InChIKey is IVBVYWZDPVRIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-28-17-13-11-16(12-14-17)15-24-19-8-6-5-7-18(19)23-22(27)20(24)9-3-2-4-10-21(25)26/h5-8,11-14,20H,2-4,9-10,15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid?
6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid has a molecular weight of 382.46 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid is sourced from PubChem (CID 69495401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).