2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C25H21FN4O2 — CID 24983308

IUPAC2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)Cc2c(-c3ccc4ncccc4c3)[nH]c3ccc(F)cc23)on1
InChIInChI=1S/C25H21FN4O2/c1-15-10-19(32-29-15)14-30(2)24(31)13-21-20-12-18(26)6-8-23(20)28-25(21)17-5-7-22-16(11-17)4-3-9-27-22/h3-12,28H,13-14H2,1-2H3
InChIKeyXQXXFDOPOVNBHN-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.02
Rot. Bonds5

About 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 24983308) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID24983308
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)Cc2c(-c3ccc4ncccc4c3)[nH]c3ccc(F)cc23)on1
InChIInChI=1S/C25H21FN4O2/c1-15-10-19(32-29-15)14-30(2)24(31)13-21-20-12-18(26)6-8-23(20)28-25(21)17-5-7-22-16(11-17)4-3-9-27-22/h3-12,28H,13-14H2,1-2H3
InChIKeyXQXXFDOPOVNBHN-UHFFFAOYSA-N
XLogP5.02
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 24983308) is 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is Cc1cc(CN(C)C(=O)Cc2c(-c3ccc4ncccc4c3)[nH]c3ccc(F)cc23)on1.
What is the InChIKey of 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is XQXXFDOPOVNBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-15-10-19(32-29-15)14-30(2)24(31)13-21-20-12-18(26)6-8-23(20)28-25(21)17-5-7-22-16(11-17)4-3-9-27-22/h3-12,28H,13-14H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-quinolin-6-yl-1H-indol-3-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 24983308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).