3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one

C23H20N3O6- — CID 163141526

IUPAC3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)CC(Nc2ccc(N([O-])O)cc2)c2ccco2)c(O)c2ccccc21
InChIInChI=1S/C23H20N3O6/c1-25-18-6-3-2-5-16(18)22(28)21(23(25)29)19(27)13-17(20-7-4-12-32-20)24-14-8-10-15(11-9-14)26(30)31/h2-12,17,24,28,30H,13H2,1H3/q-1
InChIKeyGGSBFMPPKLNDEX-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.96
Rot. Bonds7

About 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one

3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 163141526) has the molecular formula C23H20N3O6- and a molecular weight of 434.43 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID163141526
Molecular FormulaC23H20N3O6-
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC Name3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)CC(Nc2ccc(N([O-])O)cc2)c2ccco2)c(O)c2ccccc21
InChIInChI=1S/C23H20N3O6/c1-25-18-6-3-2-5-16(18)22(28)21(23(25)29)19(27)13-17(20-7-4-12-32-20)24-14-8-10-15(11-9-14)26(30)31/h2-12,17,24,28,30H,13H2,1H3/q-1
InChIKeyGGSBFMPPKLNDEX-UHFFFAOYSA-N
XLogP3.96
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-1-(furan-2-yl)-3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxopropyl]amino]-N-hydroxybenzeneamine oxide
CID 163141527
3-[3-(furan-2-yl)-3-(pyridin-4-ylmethylamino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54678179
3-[(3S)-3-(4-aminoanilino)-3-(1,3-benzodioxol-5-yl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54693977
4-[[(1R)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxopropyl]amino]-N-hydroxybenzeneamine oxide
CID 163159733
3-[3-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54710538
3-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(3-nitroanilino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747515
4-hydroxy-3-[3-(2-hydroxyphenyl)-3-(N-phenylanilino)propanoyl]-1-methylquinolin-2-one
CID 54697106
3-[(3R)-3-[(8-aminonaphthalen-1-yl)amino]-3-(2-hydroxyphenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54693968
3-[(3S)-3-amino-3-(2-hydroxyphenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747504
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
4-hydroxy-3-[(3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1,3-thiazol-2-ylamino)propanoyl]-1-methylquinolin-2-one
CID 54693990
3-[(3R)-3-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747487

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one (CID 163141526) is 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(C(=O)CC(Nc2ccc(N([O-])O)cc2)c2ccco2)c(O)c2ccccc21.
What is the InChIKey of 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is GGSBFMPPKLNDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3O6/c1-25-18-6-3-2-5-16(18)22(28)21(23(25)29)19(27)13-17(20-7-4-12-32-20)24-14-8-10-15(11-9-14)26(30)31/h2-12,17,24,28,30H,13H2,1H3/q-1.
What are the key properties of 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one?
3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 434.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-3-[4-[hydroxy(oxido)amino]anilino]propanoyl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 163141526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).