7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide

C28H23N5O4 — CID 70695889

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccccc3C(=O)c3ccccn3)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C28H23N5O4/c1-15-25(16(2)37-33-15)19-12-23-18(13-24(19)36-3)26(20(14-31-23)28(29)35)32-21-9-5-4-8-17(21)27(34)22-10-6-7-11-30-22/h4-14H,1-3H3,(H2,29,35)(H,31,32)
InChIKeyBETHVCQFAJRUPN-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.98
Rot. Bonds7

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide (PubChem CID 70695889) has the molecular formula C28H23N5O4 and a molecular weight of 493.52 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide
PubChem CID70695889
Molecular FormulaC28H23N5O4
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccccc3C(=O)c3ccccn3)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C28H23N5O4/c1-15-25(16(2)37-33-15)19-12-23-18(13-24(19)36-3)26(20(14-31-23)28(29)35)32-21-9-5-4-8-17(21)27(34)22-10-6-7-11-30-22/h4-14H,1-3H3,(H2,29,35)(H,31,32)
InChIKeyBETHVCQFAJRUPN-UHFFFAOYSA-N
XLogP4.98
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide (CID 70695889) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide is COc1cc2c(Nc3ccccc3C(=O)c3ccccn3)c(C(N)=O)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide?
The InChIKey is BETHVCQFAJRUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4/c1-15-25(16(2)37-33-15)19-12-23-18(13-24(19)36-3)26(20(14-31-23)28(29)35)32-21-9-5-4-8-17(21)27(34)22-10-6-7-11-30-22/h4-14H,1-3H3,(H2,29,35)(H,31,32).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(pyridine-2-carbonyl)anilino]quinoline-3-carboxamide is sourced from PubChem (CID 70695889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).