2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid

C20H22N2O6 — CID 119226895

IUPAC2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1C(=O)O
InChIInChI=1S/C20H22N2O6/c1-12-16(20(25)26)10-15(28-12)11-21-18(23)3-2-8-27-14-5-6-17-13(9-14)4-7-19(24)22-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyHJORCZAZMVLXET-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.65
Rot. Bonds8

About 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid

2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid (PubChem CID 119226895) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid
PubChem CID119226895
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1C(=O)O
InChIInChI=1S/C20H22N2O6/c1-12-16(20(25)26)10-15(28-12)11-21-18(23)3-2-8-27-14-5-6-17-13(9-14)4-7-19(24)22-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyHJORCZAZMVLXET-UHFFFAOYSA-N
XLogP2.65
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic 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-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55971867
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid (CID 119226895) is 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid?
The InChIKey is HJORCZAZMVLXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-12-16(20(25)26)10-15(28-12)11-21-18(23)3-2-8-27-14-5-6-17-13(9-14)4-7-19(24)22-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).