6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide

C28H23FN4O5 — CID 140936479

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Nc1ccc(O)c(F)c1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C28H23FN4O5/c1-15-26(16(2)38-32-15)20-10-17-11-21(27(35)31-18-7-8-24(34)22(29)12-18)28(36)33(23(17)13-25(20)37-3)14-19-6-4-5-9-30-19/h4-13,34H,14H2,1-3H3,(H,31,35)
InChIKeyBXFSJJCBSIJNOV-UHFFFAOYSA-N
MW514.51 g/mol
LogP4.82
Rot. Bonds6

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 140936479) has the molecular formula C28H23FN4O5 and a molecular weight of 514.51 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide
PubChem CID140936479
Molecular FormulaC28H23FN4O5
Molecular Weight514.51 g/mol
Exact Mass514.17
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Nc1ccc(O)c(F)c1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C28H23FN4O5/c1-15-26(16(2)38-32-15)20-10-17-11-21(27(35)31-18-7-8-24(34)22(29)12-18)28(36)33(23(17)13-25(20)37-3)14-19-6-4-5-9-30-19/h4-13,34H,14H2,1-3H3,(H,31,35)
InChIKeyBXFSJJCBSIJNOV-UHFFFAOYSA-N
XLogP4.82
TPSA119.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide with MolForge

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Related Compounds

Odm-207
CID 118224658
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-(2-fluoroanilino)-6-methoxyquinoline-3-carboxamide
CID 70681170
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide
CID 70685378
1-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350552
1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(1,2-oxazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 139350659
[(2S,5R)-2,5-dimethylpiperazin-1-yl]-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]-oxoazanium
CID 58907985
1-[5-[4-[(4-Fluorophenyl)methyl]piperidine-1-carbonyl]-1-hydroxy-6-methoxyindol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 58907988
2-(4-fluorophenyl)-5-[3-[(5-fluoro-2-pyridinyl)methyl]-4-oxo-1,2,3-benzotriazin-6-yl]-6-[methoxy(methyl)amino]-N-methyl-1-benzofuran-3-carboxamide
CID 117801570
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-(fluoromethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118224616
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one
CID 118224629
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
CID 118224644
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[(5-fluoro-2-pyridinyl)methyl]-7-methoxyquinolin-2-one
CID 118224690

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide (CID 140936479) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide is COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Nc1ccc(O)c(F)c1)c(=O)n2Cc1ccccn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is BXFSJJCBSIJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O5/c1-15-26(16(2)38-32-15)20-10-17-11-21(27(35)31-18-7-8-24(34)22(29)12-18)28(36)33(23(17)13-25(20)37-3)14-19-6-4-5-9-30-19/h4-13,34H,14H2,1-3H3,(H,31,35).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 514.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-hydroxyphenyl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 140936479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).